4-(2-methylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-methylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-methylbenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(2-methylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-methylbenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-o-toluoyl-1H-pyrrole-2-carboxylic acid Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C13H11NO3/c1-8-4-2-3-5-10(8)12(15)9-6-11(13(16)17)14-7-9/h2-7,14H,1H3,(H,16,17)