5-(4-methylphenyl)carbonyl-1H-pyrrole-3-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)carbonyl-1H-pyrrole-3-carboxylic acid Openeye Name: 5-(4-methylbenzoyl)-1H-pyrrole-3-carboxylic acid CAS Name: 5-[(4-methylphenyl)-oxomethyl]-1H-pyrrole-3-carboxylic acid IUPAC Name: 5-(4-methylbenzoyl)-1H-pyrrole-3-carboxylic acid Traditional Name: 5-p-toluoyl-1H-pyrrole-3-carboxylic acid Formula: C13H11NO3 MolecularWeight: 229.23134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=CN2)C(=O)O

InChI

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