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

Systemtic Name: 1-methyl-4-(2-methylphenyl)carbonyl-pyrrole-2-carboxylic acid Openeye Name: 1-methyl-4-(2-methylbenzoyl)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[(2-methylphenyl)-oxomethyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-methyl-4-(2-methylbenzoyl)pyrrole-2-carboxylic acid Traditional Name: 1-methyl-4-o-toluoyl-pyrrole-2-carboxylic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO3/c1-9-5-3-4-6-11(9)13(16)10-7-12(14(17)18)15(2)8-10/h3-8H,1-2H3,(H,17,18)