1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: 1-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: 1-[2-oxo-2-(4-phenoxyanilino)ethyl]triazole-4,5-dicarboxylate CAS Name: 1-[2-oxo-2-(4-phenoxyanilino)ethyl]triazole-4,5-dicarboxylate IUPAC Name: 1-[2-oxo-2-(4-phenoxyanilino)ethyl]triazole-4,5-dicarboxylate Traditional Name: 1-[2-keto-2-(4-phenoxyanilino)ethyl]triazole-4,5-dicarboxylate Formula: C18H12N4O6-2 MolecularWeight: 380.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=C(N=N3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CN3C(=C(N=N3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H14N4O6/c23-14(10-22-16(18(26)27)15(17(24)25)20-21-22)19-11-6-8-13(9-7-11)28-12-4-2-1-3-5-12/h1-9H,10H2,(H,19,23)(H,24,25)(H,26,27)/p-2