3-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]bicyclo[3.2.1]octane-2,4-dione

Systemtic Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)carbonyl]bicyclo[3.2.1]octane-2,4-dione Openeye Name: 3-(6-nitro-1,3-benzodioxole-5-carbonyl)bicyclo[3.2.1]octane-2,4-dione CAS Name: 3-[(6-nitro-1,3-benzodioxol-5-yl)-oxomethyl]bicyclo[3.2.1]octane-2,4-dione IUPAC Name: 3-(6-nitro-1,3-benzodioxole-5-carbonyl)bicyclo[3.2.1]octane-2,4-dione Traditional Name: 3-(6-nitropiperonyloyl)bicyclo[3.2.1]octane-2,4-quinone Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(=O)C(C2=O)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CC2CC1C(=O)C(C2=O)C(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C16H13NO7/c18-14-7-1-2-8(3-7)15(19)13(14)16(20)9-4-11-12(24-6-23-11)5-10(9)17(21)22/h4-5,7-8,13H,1-3,6H2