5-(2,2-dimethylpropyl)-6-nitro-1,3-benzodioxole

Systemtic Name: 5-(2,2-dimethylpropyl)-6-nitro-1,3-benzodioxole Openeye Name: 5-(2,2-dimethylpropyl)-6-nitro-1,3-benzodioxole CAS Name: 5-(2,2-dimethylpropyl)-6-nitro-1,3-benzodioxole IUPAC Name: 5-(2,2-dimethylpropyl)-6-nitro-1,3-benzodioxole Traditional Name: 5-neopentyl-6-nitro-1,3-benzodioxole Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)(C)CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C12H15NO4/c1-12(2,3)6-8-4-10-11(17-7-16-10)5-9(8)13(14)15/h4-5H,6-7H2,1-3H3