(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+