5-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(5-bromo-2-methoxy-benzoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(5-bromo-2-methoxybenzoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(5-bromo-2-methoxy-benzoyl)amino]isophthalic acid Formula: C16H12BrNO6 MolecularWeight: 394.17358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12BrNO6/c1-24-13-3-2-10(17)7-12(13)14(19)18-11-5-8(15(20)21)4-9(6-11)16(22)23/h2-7H,1H3,(H,18,19)(H,20,21)(H,22,23)