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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC(=CN2)Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC(=CN2)Br)C(=O)[O-]

InChI

InChI=1S/C13H11BrN2O3/c14-10-5-11(15-7-10)12(17)16-6-8-1-3-9(4-2-8)13(18)19/h1-5,7,15H,6H2,(H,16,17)(H,18,19)/p-1