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

Systemtic Name: 8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Openeye Name: 8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide CAS Name: 8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide IUPAC Name: 8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Traditional Name: 8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Formula: C17H12N6O3 MolecularWeight: 348.31558

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C17H12N6O3/c18-16(24)17-20-14-9-19-15(10-4-2-1-3-5-10)12-8-11(23(25)26)6-7-13(12)22(14)21-17/h1-8H,9H2,(H2,18,24)