3,4-dimethyl-4-nitro-5-phenethyl-cyclohexan-1-one

Systemtic Name: 3,4-dimethyl-4-nitro-5-phenethyl-cyclohexan-1-one Openeye Name: 3,4-dimethyl-4-nitro-5-phenethyl-cyclohexanone CAS Name: 3,4-dimethyl-4-nitro-5-phenethyl-1-cyclohexanone IUPAC Name: 3,4-dimethyl-4-nitro-5-phenethylcyclohexan-1-one Traditional Name: 3,4-dimethyl-4-nitro-5-phenethyl-cyclohexanone Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1(C)[N+](=O)[O-])CCC2=CC=CC=C2

Isomeric SMILES

CC1CC(=O)CC(C1(C)[N+](=O)[O-])CCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-12-10-15(18)11-14(16(12,2)17(19)20)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3