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

Systemtic Name: [1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H15Cl2NO3 MolecularWeight: 352.2119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Cl2NO3/c1-9-4-5-12(6-10(9)2)15(21)11(3)23-17(22)13-7-14(18)16(19)20-8-13/h4-8,11H,1-3H3