[(1R)-2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate

Systemtic Name: [(1R)-2-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-ethyl] 3-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenyl-ethyl] 3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(4-methoxyphenyl)-2-oxo-1-phenylethyl] 3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 3-[(3-nitrobenzoyl)amino]benzoic acid [(1R)-2-keto-2-(4-methoxyphenyl)-1-phenyl-ethyl] ester Formula: C29H22N2O7 MolecularWeight: 510.49418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H22N2O7/c1-37-25-15-13-19(14-16-25)26(32)27(20-7-3-2-4-8-20)38-29(34)22-10-5-11-23(17-22)30-28(33)21-9-6-12-24(18-21)31(35)36/h2-18,27H,1H3,(H,30,33)/t27-/m1/s1