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

Systemtic Name: N-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Openeye Name: N-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide CAS Name: N-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide IUPAC Name: N-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Traditional Name: N-methyl-8-nitro-6-phenyl-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide Formula: C18H14N6O3 MolecularWeight: 362.34216

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN2C(=N1)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=NN2C(=N1)CN=C(C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C18H14N6O3/c1-19-18(25)17-21-15-10-20-16(11-5-3-2-4-6-11)13-9-12(24(26)27)7-8-14(13)23(15)22-17/h2-9H,10H2,1H3,(H,19,25)