3-[(4-bromanyl-1-propyl-pyrrol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-bromanyl-1-propyl-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(4-bromo-1-propyl-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 3-[[(4-bromo-1-propyl-2-pyrrolyl)-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(4-bromo-1-propyl-pyrrole-2-carbonyl)amino]benzoic acid Formula: C15H15BrN2O3 MolecularWeight: 351.1952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)O)Br

Isomeric SMILES

CCCN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C15H15BrN2O3/c1-2-6-18-9-11(16)8-13(18)14(19)17-12-5-3-4-10(7-12)15(20)21/h3-5,7-9H,2,6H2,1H3,(H,17,19)(H,20,21)