(phenylmethyl) N-(1-methyl-7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(1-methyl-7-nitro-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: benzyl N-(1-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(1-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1-methyl-7-nitro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(2-keto-1-methyl-7-nitro-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C24H20N4O5 MolecularWeight: 444.4394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N4O5/c1-27-20-13-12-18(28(31)32)14-19(20)21(17-10-6-3-7-11-17)25-22(23(27)29)26-24(30)33-15-16-8-4-2-5-9-16/h2-14,22H,15H2,1H3,(H,26,30)