1-(5-nitro-2-oxidanyl-phenyl)hept-6-en-1-one

Systemtic Name: 1-(5-nitro-2-oxidanyl-phenyl)hept-6-en-1-one Openeye Name: 1-(2-hydroxy-5-nitro-phenyl)hept-6-en-1-one CAS Name: 1-(2-hydroxy-5-nitrophenyl)-6-hepten-1-one IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)hept-6-en-1-one Traditional Name: 1-(2-hydroxy-5-nitro-phenyl)hept-6-en-1-one Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-2-3-4-5-6-12(15)11-9-10(14(17)18)7-8-13(11)16/h2,7-9,16H,1,3-6H2