(4-nitrophenyl) 7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (4-nitrophenyl) 7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: (4-nitrophenyl) 3-benzyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-cyano-3-(phenylmethyl)-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-benzyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 3-benzyl-7-cyano-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid (4-nitrophenyl) ester Formula: C24H20N4O4 MolecularWeight: 428.44

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C(N1)C=CC(=C2)C#N)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C(N(CC2=C(N1)C=CC(=C2)C#N)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C24H20N4O4/c25-14-18-6-11-23-19(12-18)16-27(21(15-26-23)13-17-4-2-1-3-5-17)24(29)32-22-9-7-20(8-10-22)28(30)31/h1-12,21,26H,13,15-16H2