(4-nitrophenyl) N-(2-oxidanylidene-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: (4-nitrophenyl) N-(2-oxidanylidene-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: (4-nitrophenyl) N-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)carbamic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) N-(2-oxo-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(2-keto-5-phenethyl-1-propyl-3H-1,4-benzodiazepin-3-yl)carbamic acid (4-nitrophenyl) ester Formula: C27H26N4O5 MolecularWeight: 486.51914

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OC3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C27H26N4O5/c1-2-18-30-24-11-7-6-10-22(24)23(17-12-19-8-4-3-5-9-19)28-25(26(30)32)29-27(33)36-21-15-13-20(14-16-21)31(34)35/h3-11,13-16,25H,2,12,17-18H2,1H3,(H,29,33)