(E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one

Systemtic Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one Openeye Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one CAS Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-1-penten-3-one IUPAC Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one Traditional Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-one Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c1-14(2,3)13(16)5-4-9-6-11-12(20-8-19-11)7-10(9)15(17)18/h4-7H,8H2,1-3H3/b5-4+