2-[(4-bromanyl-1-methyl-pyrrol-2-yl)carbonyl-methyl-amino]benzoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)N(C)C2=CC=CC=C2C(=O)O)Br

Isomeric SMILES

CN1C=C(C=C1C(=O)N(C)C2=CC=CC=C2C(=O)O)Br

InChI

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