4-(3,4-dimethylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(3,4-dimethylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carboxylic acid CAS Name: 4-[(3,4-dimethylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 4-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carboxylic acid Formula: C14H13NO3 MolecularWeight: 243.25792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O)C

InChI

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