2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)azaniumyl]ethanoate

Systemtic Name: 2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)azaniumyl]ethanoate Openeye Name: 2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)ammonio]acetate CAS Name: 2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)ammonio]acetate IUPAC Name: 2-[(4,6-diphenoxy-1,3,5-triazin-2-yl)azaniumyl]acetate Traditional Name: 2-[(4,6-diphenoxy-s-triazin-2-yl)ammonio]acetate Formula: C17H14N4O4 MolecularWeight: 338.31746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=NC(=NC(=N2)[NH2+]CC(=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=NC(=NC(=N2)[NH2+]CC(=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C17H14N4O4/c22-14(23)11-18-15-19-16(24-12-7-3-1-4-8-12)21-17(20-15)25-13-9-5-2-6-10-13/h1-10H,11H2,(H,22,23)(H,18,19,20,21)