(4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (4-oxidanylidene-2-bicyclo[3.2.1]oct-2-enyl) 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-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) 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-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=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CC2CC1C(=CC2=O)OC(=O)C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

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