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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)C2=CC(=CN2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CC(=CN2)Br)C(=O)O

InChI

InChI=1S/C14H13BrN2O3/c15-11-7-12(17-8-11)13(18)16-6-5-9-1-3-10(4-2-9)14(19)20/h1-4,7-8,17H,5-6H2,(H,16,18)(H,19,20)