[2-(4-methylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-1-phenyl-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-oxo-1-phenyl-2-(p-tolyl)ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-(4-methylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-1-phenyl-2-(p-tolyl)ethyl] ester Formula: C22H16ClNO5 MolecularWeight: 409.81914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClNO5/c1-14-7-9-15(10-8-14)20(25)21(16-5-3-2-4-6-16)29-22(26)18-13-17(24(27)28)11-12-19(18)23/h2-13,21H,1H3