[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C16H13Cl2NO3 MolecularWeight: 338.18532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=C(N=C2)Cl)Cl

InChI

InChI=1S/C16H13Cl2NO3/c1-9-3-5-11(6-4-9)14(20)10(2)22-16(21)12-7-13(17)15(18)19-8-12/h3-8,10H,1-2H3/t10-/m0/s1