4-cyano-3-methyl-1-phenyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-cyano-3-methyl-1-phenyl-pyrrole-2-carboxylic acid Openeye Name: 4-cyano-3-methyl-1-phenyl-pyrrole-2-carboxylic acid CAS Name: 4-cyano-3-methyl-1-phenyl-2-pyrrolecarboxylic acid IUPAC Name: 4-cyano-3-methyl-1-phenylpyrrole-2-carboxylic acid Traditional Name: 4-cyano-3-methyl-1-phenyl-pyrrole-2-carboxylic acid Formula: C13H10N2O2 MolecularWeight: 226.2307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1C#N)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(N(C=C1C#N)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H10N2O2/c1-9-10(7-14)8-15(12(9)13(16)17)11-5-3-2-4-6-11/h2-6,8H,1H3,(H,16,17)