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

Systemtic Name: 4-methoxy-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Openeye Name: 4-methoxy-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide CAS Name: 4-methoxy-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide IUPAC Name: 4-methoxy-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Traditional Name: 4-methoxy-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Formula: C18H14N6O4 MolecularWeight: 378.34156

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Descriptors Computed from Structure

Canonical SMILES:

COC1C2=NC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

COC1C2=NC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C18H14N6O4/c1-28-18-17-21-16(15(19)25)22-23(17)13-8-7-11(24(26)27)9-12(13)14(20-18)10-5-3-2-4-6-10/h2-9,18H,1H3,(H2,19,25)