2-(2-nitro-3-oxidanyl-1-phenyl-butyl)cyclohexan-1-one

Systemtic Name: 2-(2-nitro-3-oxidanyl-1-phenyl-butyl)cyclohexan-1-one Openeye Name: 2-(3-hydroxy-2-nitro-1-phenyl-butyl)cyclohexanone CAS Name: 2-(3-hydroxy-2-nitro-1-phenylbutyl)-1-cyclohexanone IUPAC Name: 2-(3-hydroxy-2-nitro-1-phenylbutyl)cyclohexan-1-one Traditional Name: 2-(3-hydroxy-2-nitro-1-phenyl-butyl)cyclohexanone Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1CCCCC1=O)C2=CC=CC=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(C(C(C1CCCCC1=O)C2=CC=CC=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H21NO4/c1-11(18)16(17(20)21)15(12-7-3-2-4-8-12)13-9-5-6-10-14(13)19/h2-4,7-8,11,13,15-16,18H,5-6,9-10H2,1H3