3-cyano-5-methyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 3-cyano-5-methyl-4-(phenylcarbonyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 4-benzoyl-3-cyano-5-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-benzoyl-3-cyano-5-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-benzoyl-3-cyano-5-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-benzoyl-3-cyano-5-methyl-1H-pyrrole-2-carboxylic acid Formula: C14H10N2O3 MolecularWeight: 254.2408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C(=O)O)C#N)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=C(N1)C(=O)O)C#N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H10N2O3/c1-8-11(10(7-15)12(16-8)14(18)19)13(17)9-5-3-2-4-6-9/h2-6,16H,1H3,(H,18,19)