methyl 2-[5-[(4-chlorophenyl)-cyano-oxidanyl-methyl]-1-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[(4-chlorophenyl)-cyano-oxidanyl-methyl]-1-methyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-[(4-chlorophenyl)-cyano-hydroxy-methyl]-1-methyl-pyrrol-2-yl]acetate CAS Name: 2-[5-[(4-chlorophenyl)-cyano-hydroxymethyl]-1-methyl-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[(4-chlorophenyl)-cyano-hydroxymethyl]-1-methylpyrrol-2-yl]acetate Traditional Name: 2-[5-[(4-chlorophenyl)-cyano-hydroxy-methyl]-1-methyl-pyrrol-2-yl]acetic acid methyl ester Formula: C16H15ClN2O3 MolecularWeight: 318.7549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C(C#N)(C2=CC=C(C=C2)Cl)O)CC(=O)OC

Isomeric SMILES

CN1C(=CC=C1C(C#N)(C2=CC=C(C=C2)Cl)O)CC(=O)OC

InChI

InChI=1S/C16H15ClN2O3/c1-19-13(9-15(20)22-2)7-8-14(19)16(21,10-18)11-3-5-12(17)6-4-11/h3-8,21H,9H2,1-2H3