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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H17ClN2O3 MolecularWeight: 296.74938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C14H17ClN2O3/c15-12-9-11(5-6-16-12)14(19)20-10-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2