(E)-6-(4-methoxyphenyl)-5-nitro-hex-5-en-2-one

Systemtic Name: (E)-6-(4-methoxyphenyl)-5-nitro-hex-5-en-2-one Openeye Name: (E)-6-(4-methoxyphenyl)-5-nitro-hex-5-en-2-one CAS Name: (E)-6-(4-methoxyphenyl)-5-nitro-5-hexen-2-one IUPAC Name: (E)-6-(4-methoxyphenyl)-5-nitrohex-5-en-2-one Traditional Name: (E)-6-(4-methoxyphenyl)-5-nitro-hex-5-en-2-one Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-10(15)3-6-12(14(16)17)9-11-4-7-13(18-2)8-5-11/h4-5,7-9H,3,6H2,1-2H3/b12-9+