[2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[3-[methyl(phenyl)amino]propylamino]-2-oxidanylidene-ethyl] 2-chloranylpyridine-3-carboxylate Openeye Name: [2-[3-(N-methylanilino)propylamino]-2-oxo-ethyl] 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] ester IUPAC Name: [2-[3-(N-methylanilino)propylamino]-2-oxoethyl] 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid [2-keto-2-[3-(N-methylanilino)propylamino]ethyl] ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCNC(=O)COC(=O)C1=C(N=CC=C1)Cl)C2=CC=CC=C2

Isomeric SMILES

CN(CCCNC(=O)COC(=O)C1=C(N=CC=C1)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H20ClN3O3/c1-22(14-7-3-2-4-8-14)12-6-11-20-16(23)13-25-18(24)15-9-5-10-21-17(15)19/h2-5,7-10H,6,11-13H2,1H3,(H,20,23)