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

Systemtic Name: 1-(2-ethoxy-2-oxidanylidene-ethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]-1,2,3-triazol-1-ium-4-olate Openeye Name: 1-(2-ethoxy-2-oxo-ethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate CAS Name: 1-(2-ethoxy-2-oxoethyl)-5-[(4-methoxyanilino)-oxomethyl]-3-(4-methoxyphenyl)-4-triazol-1-iumolate IUPAC Name: 1-(2-ethoxy-2-oxoethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Traditional Name: 1-(2-ethoxy-2-keto-ethyl)-3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)carbamoyl]triazol-1-ium-4-olate Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6/c1-4-31-18(26)13-24-19(20(27)22-14-5-9-16(29-2)10-6-14)21(28)25(23-24)15-7-11-17(30-3)12-8-15/h5-12H,4,13H2,1-3H3,(H-,22,23,27,28)