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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)O)Br

Isomeric SMILES

CCN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)O)Br

InChI

InChI=1S/C14H13BrN2O3/c1-2-17-8-10(15)7-12(17)13(18)16-11-5-3-9(4-6-11)14(19)20/h3-8H,2H2,1H3,(H,16,18)(H,19,20)