3-[(2-nitrophenyl)-oxidanyl-methyl]hexan-2-one

Systemtic Name: 3-[(2-nitrophenyl)-oxidanyl-methyl]hexan-2-one Openeye Name: 3-[hydroxy-(2-nitrophenyl)methyl]hexan-2-one CAS Name: 3-[hydroxy-(2-nitrophenyl)methyl]-2-hexanone IUPAC Name: 3-[hydroxy-(2-nitrophenyl)methyl]hexan-2-one Traditional Name: 3-[hydroxy-(2-nitrophenyl)methyl]hexan-2-one Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4/c1-3-6-10(9(2)15)13(16)11-7-4-5-8-12(11)14(17)18/h4-5,7-8,10,13,16H,3,6H2,1-2H3