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

Systemtic Name: 2-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]benzoate Openeye Name: 2-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(p-tolyl)triazole-4-carbonyl]hydrazono]methyl]benzoate CAS Name: 2-[(E)-[[[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]benzoate IUPAC Name: 2-[(E)-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate Traditional Name: 2-[(E)-[[1-(4-ammoniofurazan-3-yl)-5-(p-tolyl)triazole-4-carbonyl]hydrazono]methyl]benzoate Formula: C20H16N8O4 MolecularWeight: 432.39224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3[NH3+])C(=O)NN=CC4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3[NH3+])C(=O)N/N=C/C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C20H16N8O4/c1-11-6-8-12(9-7-11)16-15(23-27-28(16)18-17(21)25-32-26-18)19(29)24-22-10-13-4-2-3-5-14(13)20(30)31/h2-10H,1H3,(H2,21,25)(H,24,29)(H,30,31)/b22-10+