[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C18H19ClN2O3 MolecularWeight: 346.80806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)Cl

InChI

InChI=1S/C18H19ClN2O3/c1-2-3-5-13-7-9-14(10-8-13)21-16(22)12-24-18(23)15-6-4-11-20-17(15)19/h4,6-11H,2-3,5,12H2,1H3,(H,21,22)