COMPOUND: C15343
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Entry
C15343 Compound
Name
HR1917;
4',4''-Di-2-imidazolin-2-yl-2-nitroterephthalanilide dihydrochloride
Formula
C26H23N7O4. 2HCl
Exact mass
569.1345
Mol weight
570.4272
Structure
Mol file
KCF file
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Other DBs
CAS:
5318-78-5
PubChem:
17396340
ChEBI:
79845
NIKKAJI:
J2.793.901E
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KCF data
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ATOM 39
1 C8x C 19.7400 -18.6200
2 C8y C 19.7400 -20.0200
3 C8x C 20.9524 -20.7200
4 C8x C 22.1649 -20.0200
5 C8y C 22.1649 -18.6200
6 C8y C 20.9524 -17.9200
7 N2b N 20.9524 -16.5202 #+
8 O3a O 19.7232 -15.8103
9 C5a C 23.3960 -17.9090
10 C5a C 18.5276 -20.7200
11 N1b N 24.6012 -18.6047
12 O5a O 23.3957 -16.6601
13 C8y C 25.7835 -17.9219
14 C8x C 26.9775 -18.6112
15 C8x C 28.1899 -17.9112
16 C8y C 28.1899 -16.5112
17 C8x C 26.9960 -15.8219
18 C8x C 25.7835 -16.5219
19 C2y C 29.4134 -15.8046
20 N1x N 30.6868 -16.3715
21 C1x C 31.6194 -15.3356
22 C1x C 30.9224 -14.1286
23 N2x N 29.5591 -14.4184
24 N1b N 17.3321 -20.0296
25 O5a O 18.5275 -22.1198
26 C8y C 16.1447 -20.7151
27 C8x C 14.9535 -20.0271
28 C8x C 13.7409 -20.7270
29 C8y C 13.7408 -22.1270
30 C8x C 14.9320 -22.8149
31 C8x C 16.1445 -22.1151
32 C2y C 12.5158 -22.8342
33 N1x N 11.2436 -22.2676
34 C1x C 10.3116 -23.3025
35 C1x C 11.0079 -24.5087
36 N2x N 12.3702 -24.2192
37 O3a O 22.1481 -15.8298 #-
38 X Cl 23.1000 -22.9600
39 X Cl 23.1000 -22.9600
BOND 41
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 6 7 1
8 7 8 2
9 5 9 1
10 2 10 1
11 9 11 1
12 9 12 2
13 11 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 13 18 1
20 16 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 19 23 2
26 10 24 1
27 10 25 2
28 24 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 26 31 1
35 29 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 32 36 2
41 7 37 1
BRACKET 1 21.5600 -23.7300 21.5600 -22.1900
1 24.0800 -22.1900 24.0800 -23.7300
1 2
ORIGINAL 1 38
REPEAT 1 39
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