(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C18H14N4O6 MolecularWeight: 382.32696

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)C3=CC=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O6/c23-18(12-1-3-15(4-2-12)21-10-19-9-20-21)27-8-14-6-16(22(24)25)5-13-7-26-11-28-17(13)14/h1-6,9-10H,7-8,11H2