[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate

Systemtic Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-chloranylpyridine-4-carboxylate Openeye Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid [2-[1-(4-carbomethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H19ClN2O5 MolecularWeight: 426.84966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C22H19ClN2O5/c1-13-10-18(19(26)12-30-22(28)16-8-9-24-20(23)11-16)14(2)25(13)17-6-4-15(5-7-17)21(27)29-3/h4-11H,12H2,1-3H3