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

Systemtic Name: 3-(2-cyanoethyl)-N,1-bis(3-methoxyphenyl)-5-oxidanylidene-2H-1,2,3-triazol-3-ium-4-carboxamide Openeye Name: 3-(2-cyanoethyl)-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide CAS Name: 3-(2-cyanoethyl)-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide IUPAC Name: 3-(2-cyanoethyl)-N,1-bis(3-methoxyphenyl)-5-oxo-2H-triazol-3-ium-4-carboxamide Traditional Name: 3-(2-cyanoethyl)-5-keto-N,1-bis(3-methoxyphenyl)-2H-triazol-3-ium-4-carboxamide Formula: C20H20N5O4+ MolecularWeight: 394.4039

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C2=[N+](NN(C2=O)C3=CC(=CC=C3)OC)CCC#N

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C2=[N+](NN(C2=O)C3=CC(=CC=C3)OC)CCC#N

InChI

InChI=1S/C20H19N5O4/c1-28-16-8-3-6-14(12-16)22-19(26)18-20(27)25(23-24(18)11-5-10-21)15-7-4-9-17(13-15)29-2/h3-4,6-9,12-13H,5,11H2,1-2H3,(H-,22,23,26,27)/p+1