tert-butyl 7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 7-nitro-2-oxidanylidene-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate CAS Name: 7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-nitro-2-oxo-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-keto-7-nitro-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-20(2,3)28-19(25)22-12-17(24)21-16-10-9-14(23(26)27)11-15(16)18(22)13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3,(H,21,24)