N,1-bis(4-methoxyphenyl)-5-oxidanylidene-3-(2-oxidanylidenepropyl)-2H-1,2,3-triazol-3-ium-4-carboxamide

Systemtic Name: N,1-bis(4-methoxyphenyl)-5-oxidanylidene-3-(2-oxidanylidenepropyl)-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-acetonyl-N,1-bis(4-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: N,1-bis(4-methoxyphenyl)-5-oxo-3-(2-oxopropyl)-2H-triazol-3-ium-4-carboxamide IUPAC Name: N,1-bis(4-methoxyphenyl)-5-oxo-3-(2-oxopropyl)-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-acetonyl-5-keto-N,1-bis(4-methoxyphenyl)-2H-triazol-3-ium-4-carboxamide Formula: C20H21N4O5+ MolecularWeight: 397.40454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=C(C(=O)N(N1)C2=CC=C(C=C2)OC)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)C[N+]1=C(C(=O)N(N1)C2=CC=C(C=C2)OC)C(=O)NC3=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)/p+1