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

Systemtic Name: [(1R)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [(1R)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C23H19ClN2O7 MolecularWeight: 470.85916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OC(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O[C@H](C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN2O7/c1-31-19-11-9-16(13-17(19)24)25-22(27)21(14-6-4-3-5-7-14)33-23(28)15-8-10-20(32-2)18(12-15)26(29)30/h3-13,21H,1-2H3,(H,25,27)/t21-/m1/s1