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

Systemtic Name: [2-oxidanylidene-2-[(3-oxidanylidene-1-phenyl-butan-2-yl)amino]ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-[(1-benzyl-2-oxo-propyl)amino]-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-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] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-[(1-benzyl-2-keto-propyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13(23)16(10-14-6-4-3-5-7-14)21-19(24)12-29-20(25)15-8-9-18(28-2)17(11-15)22(26)27/h3-9,11,16H,10,12H2,1-2H3,(H,21,24)