6-(azocan-1-yl)-5-chloranyl-pyridine-3-carboxylate

Systemtic Name: 6-(azocan-1-yl)-5-chloranyl-pyridine-3-carboxylate Openeye Name: 6-(azocan-1-yl)-5-chloro-pyridine-3-carboxylate CAS Name: 6-(1-azocanyl)-5-chloro-3-pyridinecarboxylate IUPAC Name: 6-(azocan-1-yl)-5-chloropyridine-3-carboxylate Traditional Name: 6-(azocan-1-yl)-5-chloro-nicotinate Formula: C13H16ClN2O2- MolecularWeight: 267.73134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=C(C=C(C=N2)C(=O)[O-])Cl

Isomeric SMILES

C1CCCN(CCC1)C2=C(C=C(C=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H17ClN2O2/c14-11-8-10(13(17)18)9-15-12(11)16-6-4-2-1-3-5-7-16/h8-9H,1-7H2,(H,17,18)/p-1