[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(3-ethoxycarbonyl-1-piperidyl)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-(3-ethoxycarbonyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(3-carbethoxypiperidino)-2-keto-ethyl] ester Formula: C16H19ClN2O5 MolecularWeight: 354.78546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C16H19ClN2O5/c1-2-23-16(22)12-4-3-7-19(9-12)14(20)10-24-15(21)11-5-6-18-13(17)8-11/h5-6,8,12H,2-4,7,9-10H2,1H3