[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H16ClNO3 MolecularWeight: 317.76684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO3/c1-10-6-7-13(9-11(10)2)15(20)12(3)22-17(21)14-5-4-8-19-16(14)18/h4-9,12H,1-3H3