[2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-13-10-16(8-9-18(13)22(26)27)20(25)28-12-19(24)21-17(14(2)23)11-15-6-4-3-5-7-15/h3-10,17H,11-12H2,1-2H3,(H,21,24)