(phenylmethyl) 2-(1-methyl-7-nitro-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(1-methyl-7-nitro-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: benzyl 2-(1-methyl-7-nitro-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(1-methyl-7-nitro-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-methyl-7-nitro-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(3-keto-1-methyl-7-nitro-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl)acetic acid benzyl ester Formula: C27H27N3O5 MolecularWeight: 473.52038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=C1C=CC(=C2)[N+](=O)[O-])CCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1C(C(=O)N(CC2=C1C=CC(=C2)[N+](=O)[O-])CCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5/c1-28-24-13-12-23(30(33)34)16-22(24)18-29(15-14-20-8-4-2-5-9-20)27(32)25(28)17-26(31)35-19-21-10-6-3-7-11-21/h2-13,16,25H,14-15,17-19H2,1H3