5-[(3-cyanophenyl)carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(3-cyanophenyl)carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[(3-cyanophenyl)-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(3-cyanobenzoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(3-cyanobenzoyl)amino]isophthalic acid Formula: C16H10N2O5 MolecularWeight: 310.261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O)C#N

InChI

InChI=1S/C16H10N2O5/c17-8-9-2-1-3-10(4-9)14(19)18-13-6-11(15(20)21)5-12(7-13)16(22)23/h1-7H,(H,18,19)(H,20,21)(H,22,23)