(E)-1-(4-methoxyphenyl)-2-nitro-hex-1-en-3-one

Systemtic Name: (E)-1-(4-methoxyphenyl)-2-nitro-hex-1-en-3-one Openeye Name: (E)-1-(4-methoxyphenyl)-2-nitro-hex-1-en-3-one CAS Name: (E)-1-(4-methoxyphenyl)-2-nitro-1-hexen-3-one IUPAC Name: (E)-1-(4-methoxyphenyl)-2-nitrohex-1-en-3-one Traditional Name: (E)-1-(4-methoxyphenyl)-2-nitro-hex-1-en-3-one Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-4-13(15)12(14(16)17)9-10-5-7-11(18-2)8-6-10/h5-9H,3-4H2,1-2H3/b12-9+