(E)-6-(3,4-dimethoxyphenyl)-5-nitro-hex-5-en-2-one

Systemtic Name: (E)-6-(3,4-dimethoxyphenyl)-5-nitro-hex-5-en-2-one Openeye Name: (E)-6-(3,4-dimethoxyphenyl)-5-nitro-hex-5-en-2-one CAS Name: (E)-6-(3,4-dimethoxyphenyl)-5-nitro-5-hexen-2-one IUPAC Name: (E)-6-(3,4-dimethoxyphenyl)-5-nitrohex-5-en-2-one Traditional Name: (E)-6-(3,4-dimethoxyphenyl)-5-nitro-hex-5-en-2-one Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-10(16)4-6-12(15(17)18)8-11-5-7-13(19-2)14(9-11)20-3/h5,7-9H,4,6H2,1-3H3/b12-8+