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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CC(C(=O)NCCC1=CC=CC=C1)OC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C17H17ClN2O3/c1-12(23-17(22)14-8-10-19-15(18)11-14)16(21)20-9-7-13-5-3-2-4-6-13/h2-6,8,10-12H,7,9H2,1H3,(H,20,21)