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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(=O)C(C2=O)C(=O)C3=C(C4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CC2CC1C(=O)C(C2=O)C(=O)C3=C(C4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO7/c18-13-7-1-2-8(5-7)14(19)11(13)15(20)9-3-4-10-16(24-6-23-10)12(9)17(21)22/h3-4,7-8,11H,1-2,5-6H2