1-[2-(cyclohexylmethoxy)-5-nitro-phenyl]propan-1-one

Systemtic Name: 1-[2-(cyclohexylmethoxy)-5-nitro-phenyl]propan-1-one Openeye Name: 1-[2-(cyclohexylmethoxy)-5-nitro-phenyl]propan-1-one CAS Name: 1-[2-(cyclohexylmethoxy)-5-nitrophenyl]-1-propanone IUPAC Name: 1-[2-(cyclohexylmethoxy)-5-nitrophenyl]propan-1-one Traditional Name: 1-[2-(cyclohexylmethoxy)-5-nitro-phenyl]propan-1-one Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC2CCCCC2

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC2CCCCC2

InChI

InChI=1S/C16H21NO4/c1-2-15(18)14-10-13(17(19)20)8-9-16(14)21-11-12-6-4-3-5-7-12/h8-10,12H,2-7,11H2,1H3