(Z)-3-[(4-nitrophenyl)-oxidanyl-methyl]hex-3-en-2-one

Systemtic Name: (Z)-3-[(4-nitrophenyl)-oxidanyl-methyl]hex-3-en-2-one Openeye Name: (Z)-3-[hydroxy-(4-nitrophenyl)methyl]hex-3-en-2-one CAS Name: (Z)-3-[hydroxy-(4-nitrophenyl)methyl]-3-hexen-2-one IUPAC Name: (Z)-3-[hydroxy-(4-nitrophenyl)methyl]hex-3-en-2-one Traditional Name: (Z)-3-[hydroxy-(4-nitrophenyl)methyl]hex-3-en-2-one Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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