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(E)-6-(1,3-benzodioxol-5-yl)-5-nitro-hex-5-en-2-one

(E)-6-(1,3-benzodioxol-5-yl)-5-nitro-hex-5-en-2-one

Systemtic Name:(E)-6-(1,3-benzodioxol-5-yl)-5-nitro-hex-5-en-2-one
Openeye Name:(E)-6-(1,3-benzodioxol-5-yl)-5-nitro-hex-5-en-2-one
CAS Name:(E)-6-(1,3-benzodioxol-5-yl)-5-nitro-5-hexen-2-one
IUPAC Name:(E)-6-(1,3-benzodioxol-5-yl)-5-nitrohex-5-en-2-one
Traditional Name:(E)-6-(1,3-benzodioxol-5-yl)-5-nitro-hex-5-en-2-one
Formula: C13H13NO5
MolecularWeight: 263.24602
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C13H13NO5/c1-9(15)2-4-11(14(16)17)6-10-3-5-12-13(7-10)19-8-18-12/h3,5-7H,2,4,8H2,1H3/b11-6+


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