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

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C22H17ClN2O6 MolecularWeight: 440.83318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O6/c1-30-17-9-5-8-15(12-17)24-21(26)20(14-6-3-2-4-7-14)31-22(27)18-11-10-16(25(28)29)13-19(18)23/h2-13,20H,1H3,(H,24,26)