(3,3-dimethyl-2-oxidanylidene-butyl) 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C14H15NO7 MolecularWeight: 309.2714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C14H15NO7/c1-14(2,3)12(16)6-20-13(17)8-4-10-11(22-7-21-10)5-9(8)15(18)19/h4-5H,6-7H2,1-3H3