3-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]benzoate

Systemtic Name: 3-[[4,6-bis(phenylazanyl)-1,3,5-triazin-2-yl]amino]benzoate Openeye Name: 3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzoate CAS Name: 3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzoate IUPAC Name: 3-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzoate Traditional Name: 3-[(4,6-dianilino-s-triazin-2-yl)amino]benzoate Formula: C22H17N6O2- MolecularWeight: 397.40938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)[O-])NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)[O-])NC4=CC=CC=C4

InChI

InChI=1S/C22H18N6O2/c29-19(30)15-8-7-13-18(14-15)25-22-27-20(23-16-9-3-1-4-10-16)26-21(28-22)24-17-11-5-2-6-12-17/h1-14H,(H,29,30)(H3,23,24,25,26,27,28)/p-1