4-[2-(2-methylphenyl)ethanoyl]-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-[2-(2-methylphenyl)ethanoyl]-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[2-(o-tolyl)acetyl]-1H-pyrrole-2-carboxylic acid CAS Name: 4-[2-(2-methylphenyl)-1-oxoethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[2-(2-methylphenyl)acetyl]-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[2-(o-tolyl)acetyl]-1H-pyrrole-2-carboxylic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1CC(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C14H13NO3/c1-9-4-2-3-5-10(9)7-13(16)11-6-12(14(17)18)15-8-11/h2-6,8,15H,7H2,1H3,(H,17,18)