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8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid

8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid

Systemtic Name:8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid
Openeye Name:8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid
CAS Name:8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid
IUPAC Name:8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid
Traditional Name:8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid
Formula: C17H11N5O4
MolecularWeight: 349.30034
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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)C(=O)O


Isomeric SMILES

C1C2=NC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)C(=O)O


InChI

InChI=1S/C17H11N5O4/c23-17(24)16-19-14-9-18-15(10-4-2-1-3-5-10)12-8-11(22(25)26)6-7-13(12)21(14)20-16/h1-8H,9H2,(H,23,24)


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