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

Systemtic Name: 4-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 4-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 4-[(4-bromo-1H-pyrrole-2-carbonyl)amino]benzoic acid Formula: C12H9BrN2O3 MolecularWeight: 309.11546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=CN2)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C12H9BrN2O3/c13-8-5-10(14-6-8)11(16)15-9-3-1-7(2-4-9)12(17)18/h1-6,14H,(H,15,16)(H,17,18)