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

Systemtic Name: [1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [1-(3,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethylanilino)-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(3,4-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3/c1-10-4-5-14(8-11(10)2)20-16(21)12(3)23-17(22)13-6-7-19-15(18)9-13/h4-9,12H,1-3H3,(H,20,21)