1-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

Systemtic Name: 1-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-(4-cyanophenyl)-2,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid Formula: C14H12N2O2 MolecularWeight: 240.25728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C#N)C)C(=O)O

InChI

InChI=1S/C14H12N2O2/c1-9-7-13(14(17)18)10(2)16(9)12-5-3-11(8-15)4-6-12/h3-7H,1-2H3,(H,17,18)