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

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(tetrazol-1-yl)benzoate CAS Name: 4-(1-tetrazolyl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 4-(tetrazol-1-yl)benzoate Traditional Name: 4-(tetrazol-1-yl)benzoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C17H13N5O6 MolecularWeight: 383.31502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O6/c23-17(11-1-3-14(4-2-11)21-9-18-19-20-21)27-8-13-6-15(22(24)25)5-12-7-26-10-28-16(12)13/h1-6,9H,7-8,10H2