4-[[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-acetyl-1H-pyrrole-2-carbonyl)amino]methyl]benzoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H14N2O4/c1-9(18)12-6-13(16-8-12)14(19)17-7-10-2-4-11(5-3-10)15(20)21/h2-6,8,16H,7H2,1H3,(H,17,19)(H,20,21)