[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC(=NC=C1)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC(=NC=C1)Cl

InChI

InChI=1S/C13H17ClN2O3/c1-9(2)3-5-16-12(17)8-19-13(18)10-4-6-15-11(14)7-10/h4,6-7,9H,3,5,8H2,1-2H3,(H,16,17)