COMPOUND: C11568
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Entry
C11568 Compound
Name
(5,12,13-Triaza-indeno[1,2-b]anthracen-13-yl)-acetic acid ethyl ester
Formula
C22H17N3O2
Exact mass
355.1321
Mol weight
355.3893
Structure
Mol file
KCF file
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Other DBs
PubChem:
13733
ChEBI:
235
NIKKAJI:
J1.679.149K
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KCF data
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ATOM 27
1 C8y C 24.7381 -17.8723
2 C8y C 24.7438 -16.4724
3 C8x C 25.9457 -18.5783
4 C8x C 23.5305 -18.5723
5 C8x C 25.9572 -15.7723
6 C8x C 23.5305 -15.7664
7 C8y C 27.1590 -17.8782
8 C8x C 22.3113 -17.8723
9 C8y C 27.1707 -16.4840
10 C8x C 22.3113 -16.4724
11 N5x N 28.3666 -18.5899
12 N5x N 28.3899 -15.7898
13 C8y C 29.5975 -16.5015
14 C8y C 29.5866 -17.9051
15 N4y N 30.9182 -18.3492
16 C8y C 30.9357 -16.0780
17 C8y C 31.7436 -17.2201
18 C8x C 33.1370 -17.0916
19 C8x C 33.7221 -15.8207
20 C8x C 32.9140 -14.6784
21 C8x C 31.5208 -14.8070
22 C1b C 31.3444 -19.6818
23 C7a C 30.6061 -20.8663
24 O7a O 31.2626 -22.0978
25 C1b C 30.5243 -23.2823
26 O6a O 29.2111 -20.8890
27 C1a C 31.1808 -24.5140
BOND 31
1 8 10 2
2 1 2 1
3 1 3 1
4 13 14 1
5 14 15 1
6 15 17 1
7 16 13 1
8 1 4 2
9 2 5 1
10 2 6 2
11 3 7 2
12 4 8 1
13 5 9 2
14 16 17 2
15 17 18 1
16 18 19 2
17 19 20 1
18 20 21 2
19 21 16 1
20 6 10 1
21 15 22 1
22 7 11 1
23 22 23 1
24 9 12 1
25 23 24 1
26 11 14 2
27 24 25 1
28 12 13 2
29 23 26 2
30 7 9 1
31 25 27 1
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