2-methyl-1-(5-nitro-2-oxidanyl-phenyl)hex-5-en-1-one

Systemtic Name: 2-methyl-1-(5-nitro-2-oxidanyl-phenyl)hex-5-en-1-one Openeye Name: 1-(2-hydroxy-5-nitro-phenyl)-2-methyl-hex-5-en-1-one CAS Name: 1-(2-hydroxy-5-nitrophenyl)-2-methyl-5-hexen-1-one IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)-2-methylhex-5-en-1-one Traditional Name: 1-(2-hydroxy-5-nitro-phenyl)-2-methyl-hex-5-en-1-one Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-4-5-9(2)13(16)11-8-10(14(17)18)6-7-12(11)15/h3,6-9,15H,1,4-5H2,2H3