N-tert-butyl-2-(7-nitro-5-oxidanylidene-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-4-phenyl-butanamide

Systemtic Name: N-tert-butyl-2-(7-nitro-5-oxidanylidene-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-4-phenyl-butanamide Openeye Name: N-tert-butyl-2-(7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-4-phenyl-butanamide CAS Name: N-tert-butyl-2-(7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-4-phenylbutanamide IUPAC Name: N-tert-butyl-2-(7-nitro-5-oxo-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-4-phenylbutanamide Traditional Name: N-tert-butyl-2-(5-keto-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-4-yl)-4-phenyl-butyramide Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C(CCC1=CC=CC=C1)N2CCNC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C(CCC1=CC=CC=C1)N2CCNC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-23(2,3)25-21(28)20(12-9-16-7-5-4-6-8-16)26-14-13-24-19-11-10-17(27(30)31)15-18(19)22(26)29/h4-8,10-11,15,20,24H,9,12-14H2,1-3H3,(H,25,28)