4-(4-ethylphenyl)carbonyl-1H-pyrrole-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=CNC(=C2)C(=O)O

InChI

InChI=1S/C14H13NO3/c1-2-9-3-5-10(6-4-9)13(16)11-7-12(14(17)18)15-8-11/h3-8,15H,2H2,1H3,(H,17,18)