[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5,6-bis(chloranyl)pyridine-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5,6-dichloropyridine-3-carboxylate CAS Name: 5,6-dichloro-3-pyridinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate Traditional Name: 5,6-dichloronicotinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H16Cl2N2O3 MolecularWeight: 331.19444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl2N2O3/c15-11-7-10(8-17-13(11)16)14(20)21-9-12(19)18-5-3-1-2-4-6-18/h7-8H,1-6,9H2