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

Systemtic Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol Openeye Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol CAS Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)-1-penten-3-ol IUPAC Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol Traditional Name: (E)-4,4-dimethyl-1-(6-nitro-1,3-benzodioxol-5-yl)pent-1-en-3-ol Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-14(2,3)13(16)5-4-9-6-11-12(20-8-19-11)7-10(9)15(17)18/h4-7,13,16H,8H2,1-3H3/b5-4+