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

Systemtic Name: 4-[[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-bromo-1-methylpyrrole-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]methyl]benzoic acid Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NCC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H13BrN2O3/c1-17-8-11(15)6-12(17)13(18)16-7-9-2-4-10(5-3-9)14(19)20/h2-6,8H,7H2,1H3,(H,16,18)(H,19,20)