[3-[(E)-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [3-[(E)-[[1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-1,2,3-triazol-4-yl]carbonylhydrazinylidene]methyl]phenyl] 4-nitrobenzoate Openeye Name: [3-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)triazole-4-carbonyl]hydrazono]methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(E)-[[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)-4-triazolyl]-oxomethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [3-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-nitrophenyl)triazole-4-carbonyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [3-[(E)-[[1-(4-aminofurazan-3-yl)-5-(3-nitrophenyl)triazole-4-carbonyl]hydrazono]methyl]phenyl] ester Formula: C25H16N10O8 MolecularWeight: 584.45674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])/C=N/NC(=O)C3=C(N(N=N3)C4=NON=C4N)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N10O8/c26-22-23(31-43-30-22)33-21(16-4-2-5-18(12-16)35(40)41)20(28-32-33)24(36)29-27-13-14-3-1-6-19(11-14)42-25(37)15-7-9-17(10-8-15)34(38)39/h1-13H,(H2,26,30)(H,29,36)/b27-13+