(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C24H18N4O6 MolecularWeight: 458.42292

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=NN(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H18N4O6/c29-24(33-14-18-12-20(28(30)31)11-17-13-32-15-34-21(17)18)22-25-23(16-7-3-1-4-8-16)27(26-22)19-9-5-2-6-10-19/h1-12H,13-15H2