[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H17ClN2O3 MolecularWeight: 296.74938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

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