(6-nitro-1,3-benzodioxol-5-yl)methyl 3-nitrobenzoate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 3-nitrobenzoate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C15H10N2O8 MolecularWeight: 346.2485

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O8/c18-15(9-2-1-3-11(4-9)16(19)20)23-7-10-5-13-14(25-8-24-13)6-12(10)17(21)22/h1-6H,7-8H2