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

Systemtic Name: 4-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: 4-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 4-[[(4-bromo-1-methyl-2-pyrrolyl)-oxomethyl]amino]benzoate IUPAC Name: 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 4-[(4-bromo-1-methyl-pyrrole-2-carbonyl)amino]benzoate Formula: C13H10BrN2O3- MolecularWeight: 322.1341

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)[O-])Br

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)[O-])Br

InChI

InChI=1S/C13H11BrN2O3/c1-16-7-9(14)6-11(16)12(17)15-10-4-2-8(3-5-10)13(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1