4-[(1,2,5-trimethylpyrrol-3-yl)carbonylamino]benzoic acid

Systemtic Name: 4-[(1,2,5-trimethylpyrrol-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[(1,2,5-trimethylpyrrole-3-carbonyl)amino]benzoic acid CAS Name: 4-[[oxo-(1,2,5-trimethyl-3-pyrrolyl)methyl]amino]benzoic acid IUPAC Name: 4-[(1,2,5-trimethylpyrrole-3-carbonyl)amino]benzoic acid Traditional Name: 4-[(1,2,5-trimethylpyrrole-3-carbonyl)amino]benzoic acid Formula: C15H16N2O3 MolecularWeight: 272.29914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H16N2O3/c1-9-8-13(10(2)17(9)3)14(18)16-12-6-4-11(5-7-12)15(19)20/h4-8H,1-3H3,(H,16,18)(H,19,20)