methyl 5-chloranyl-4-(cyanomethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-chloranyl-4-(cyanomethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-chloro-4-(cyanomethyl)-1H-pyrrole-2-carboxylate CAS Name: 5-chloro-4-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4-(cyanomethyl)-1H-pyrrole-2-carboxylate Traditional Name: 5-chloro-4-(cyanomethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C8H7ClN2O2 MolecularWeight: 198.60638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(N1)Cl)CC#N

Isomeric SMILES

COC(=O)C1=CC(=C(N1)Cl)CC#N

InChI

InChI=1S/C8H7ClN2O2/c1-13-8(12)6-4-5(2-3-10)7(9)11-6/h4,11H,2H2,1H3