1-(4-nitrophenyl)-2-oxidanyl-heptan-3-one

Systemtic Name: 1-(4-nitrophenyl)-2-oxidanyl-heptan-3-one Openeye Name: 2-hydroxy-1-(4-nitrophenyl)heptan-3-one CAS Name: 2-hydroxy-1-(4-nitrophenyl)-3-heptanone IUPAC Name: 2-hydroxy-1-(4-nitrophenyl)heptan-3-one Traditional Name: 2-hydroxy-1-(4-nitrophenyl)heptan-3-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-2-3-4-12(15)13(16)9-10-5-7-11(8-6-10)14(17)18/h5-8,13,16H,2-4,9H2,1H3