5-acetamido-2-pyrrol-1-yl-benzoic acid

Systemtic Name: 5-acetamido-2-pyrrol-1-yl-benzoic acid Openeye Name: 5-acetamido-2-pyrrol-1-yl-benzoic acid CAS Name: 5-acetamido-2-(1-pyrrolyl)benzoic acid IUPAC Name: 5-acetamido-2-pyrrol-1-ylbenzoic acid Traditional Name: 5-acetamido-2-pyrrol-1-yl-benzoic acid Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)N2C=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)N2C=CC=C2)C(=O)O

InChI

InChI=1S/C13H12N2O3/c1-9(16)14-10-4-5-12(11(8-10)13(17)18)15-6-2-3-7-15/h2-8H,1H3,(H,14,16)(H,17,18)