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

Systemtic Name: [(1R)-2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-2-(3-chloro-4-methoxy-anilino)-2-oxo-1-phenyl-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-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-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H18ClN3O6 MolecularWeight: 455.84782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O6/c1-31-19-10-8-15(12-16(19)23)25-21(27)20(13-5-3-2-4-6-13)32-22(28)14-7-9-17(24)18(11-14)26(29)30/h2-12,20H,24H2,1H3,(H,25,27)/t20-/m1/s1