cyanomethyl 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: cyanomethyl 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: cyanomethyl 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid cyanomethyl ester Formula: C14H12N2O2 MolecularWeight: 240.25728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC#N)N2C=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC#N)N2C=CC=C2

InChI

InChI=1S/C14H12N2O2/c1-11-4-5-12(14(17)18-9-6-15)10-13(11)16-7-2-3-8-16/h2-5,7-8,10H,9H2,1H3