5-methyl-1-(phenylcarbonyl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: 5-methyl-1-(phenylcarbonyl)-2H-pyrrole-5-carboxylic acid Openeye Name: 1-benzoyl-5-methyl-2H-pyrrole-5-carboxylic acid CAS Name: 1-benzoyl-5-methyl-2H-pyrrole-5-carboxylic acid IUPAC Name: 1-benzoyl-5-methyl-2H-pyrrole-5-carboxylic acid Traditional Name: 1-benzoyl-2-methyl-3-pyrroline-2-carboxylic acid Formula: C13H13NO3 MolecularWeight: 231.24722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CCN1C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1(C=CCN1C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H13NO3/c1-13(12(16)17)8-5-9-14(13)11(15)10-6-3-2-4-7-10/h2-8H,9H2,1H3,(H,16,17)