(4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 4-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 4-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 4-nitro-1,3-benzodioxole-5-carboxylic acid (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) ester IUPAC Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 4-nitro-piperonylic acid (4-keto-2-bicyclo[3.2.1]oct-2-enyl) ester Formula: C16H13NO7 MolecularWeight: 331.27692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1C(=CC2=O)OC(=O)C3=C(C4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CC2CC1C(=CC2=O)OC(=O)C3=C(C4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

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