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

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C16H19ClN2O3 MolecularWeight: 322.78666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=NC=C2)Cl

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC(=NC=C2)Cl

InChI

InChI=1S/C16H19ClN2O3/c17-14-10-13(7-9-18-14)16(21)22-11-15(20)19-8-6-12-4-2-1-3-5-12/h4,7,9-10H,1-3,5-6,8,11H2,(H,19,20)