COMPOUND: C13668
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Entry
C13668 Compound
Name
CNQX;
6-Cyano-7-nitroquinoxaline-2,3-dione
Formula
C9H4N4O4
Exact mass
232.0233
Mol weight
232.1525
Structure
Mol file
KCF file
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CAS:
115066-14-3
PubChem:
586261
ChEBI:
34468
NIKKAJI:
J126.315C
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KCF data
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ATOM 17
1 C8y C 25.0006 -18.4399
2 C8y C 24.9934 -19.8427
3 N4x N 26.2048 -20.5503
4 N4x N 26.2189 -17.7447
5 C8y C 27.4303 -18.4523
6 C8y C 27.4160 -19.8493
7 C8x C 28.6187 -20.5603
8 C8y C 29.8123 -19.8742
9 C8x C 28.6474 -17.7661
10 C8y C 29.8465 -18.4793
11 C3b C 31.0639 -17.7974
12 O5x O 23.7892 -17.7324
13 O5x O 23.7751 -20.5380
14 N2b N 31.0444 -20.5865 #+
15 O3a O 31.0316 -21.9893 #-
16 O3a O 32.5454 -19.8961
17 N3a N 32.2698 -17.0867
BOND 18
1 8 10 1
2 9 5 1
3 5 4 1
4 4 1 1
5 9 10 2
6 10 11 1
7 1 2 1
8 1 12 2
9 2 3 1
10 2 13 2
11 3 6 1
12 8 14 1
13 5 6 2
14 14 15 1
15 6 7 1
16 14 16 2
17 7 8 2
18 11 17 3
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