[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-nitrobenzoate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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