[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H16Cl2N2O3 MolecularWeight: 415.26934

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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=CN=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H16Cl2N2O3/c1-13-7-9-16(11-17(13)22)25-20(26)19(14-5-3-2-4-6-14)28-21(27)15-8-10-18(23)24-12-15/h2-12,19H,1H3,(H,25,26)