4-[[4-(2-carboxyethylamino)-6-[(4-carboxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[4-(2-carboxyethylamino)-6-[(4-carboxyphenyl)amino]-1,3,5-triazin-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(4-carboxyanilino)-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid CAS Name: 4-[[4-(4-carboxyanilino)-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid IUPAC Name: 4-[[4-(4-carboxyanilino)-6-(2-carboxyethylamino)-1,3,5-triazin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(4-carboxyanilino)-6-(2-carboxyethylamino)-s-triazin-2-yl]amino]benzoic acid Formula: C20H18N6O6 MolecularWeight: 438.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)NCCC(=O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC(=N2)NCCC(=O)O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N6O6/c27-15(28)9-10-21-18-24-19(22-13-5-1-11(2-6-13)16(29)30)26-20(25-18)23-14-7-3-12(4-8-14)17(31)32/h1-8H,9-10H2,(H,27,28)(H,29,30)(H,31,32)(H3,21,22,23,24,25,26)