[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13ClN2O3 MolecularWeight: 280.70692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NCC#C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NCC#C)Cl)C

InChI

InChI=1S/C13H13ClN2O3/c1-4-5-15-10(17)7-19-13(18)11-8(2)6-9(3)16-12(11)14/h1,6H,5,7H2,2-3H3,(H,15,17)