3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]-1-(2-oxidanylidenepropyl)-1,2,3-triazol-1-ium-4-olate

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]-1-(2-oxidanylidenepropyl)-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-acetonyl-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate CAS Name: 5-[(4-methoxyanilino)-oxomethyl]-3-(4-methoxyphenyl)-1-(2-oxopropyl)-4-triazol-1-iumolate IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]-1-(2-oxopropyl)triazol-1-ium-4-olate Traditional Name: 1-acetonyl-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Formula: C20H20N4O5 MolecularWeight: 396.3966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=NN(C(=C1C(=O)NC2=CC=C(C=C2)OC)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C[N+]1=NN(C(=C1C(=O)NC2=CC=C(C=C2)OC)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N4O5/c1-13(25)12-23-18(19(26)21-14-4-8-16(28-2)9-5-14)20(27)24(22-23)15-6-10-17(29-3)11-7-15/h4-11H,12H2,1-3H3,(H-,21,22,26,27)