4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]phenolate

Systemtic Name: 4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]phenolate Openeye Name: 4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazono]methyl]phenolate CAS Name: 4-[(E)-[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]phenolate IUPAC Name: 4-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]phenolate Traditional Name: 4-[(E)-[[1-(4-ammoniofurazan-3-yl)-5-(4-propoxyphenyl)triazole-4-carbonyl]hydrazono]methyl]phenolate Formula: C21H20N8O4 MolecularWeight: 448.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3[NH3+])C(=O)NN=CC4=CC=C(C=C4)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3[NH3+])C(=O)N/N=C/C4=CC=C(C=C4)[O-]

InChI

InChI=1S/C21H20N8O4/c1-2-11-32-16-9-5-14(6-10-16)18-17(24-28-29(18)20-19(22)26-33-27-20)21(31)25-23-12-13-3-7-15(30)8-4-13/h3-10,12,30H,2,11H2,1H3,(H2,22,26)(H,25,31)/b23-12+