methyl 1-[(4-chlorophenyl)methyl]-5-oxidanylidene-2H-pyrrole-3-carboxylate

Systemtic Name: methyl 1-[(4-chlorophenyl)methyl]-5-oxidanylidene-2H-pyrrole-3-carboxylate Openeye Name: methyl 1-[(4-chlorophenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate CAS Name: 1-[(4-chlorophenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-[(4-chlorophenyl)methyl]-5-oxo-2H-pyrrole-3-carboxylate Traditional Name: 1-(4-chlorobenzyl)-5-keto-3-pyrroline-3-carboxylic acid methyl ester Formula: C13H12ClNO3 MolecularWeight: 265.69228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N(C1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=CC(=O)N(C1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H12ClNO3/c1-18-13(17)10-6-12(16)15(8-10)7-9-2-4-11(14)5-3-9/h2-6H,7-8H2,1H3