[1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylanilino)-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C16H15ClN2O3 MolecularWeight: 318.7549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN2O3/c1-10-3-5-13(6-4-10)19-15(20)11(2)22-16(21)12-7-8-18-14(17)9-12/h3-9,11H,1-2H3,(H,19,20)