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

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H17ClN2O5/c1-14-7-9-16(10-8-14)24-21(26)20(15-5-3-2-4-6-15)30-22(27)18-12-11-17(25(28)29)13-19(18)23/h2-13,20H,1H3,(H,24,26)