5-(3-methylbutan-2-yl)-6-nitro-1,3-benzodioxole

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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