3-methoxy-4-methyl-4-nitro-5-phenethyl-cyclohexan-1-one

Systemtic Name: 3-methoxy-4-methyl-4-nitro-5-phenethyl-cyclohexan-1-one Openeye Name: 3-methoxy-4-methyl-4-nitro-5-phenethyl-cyclohexanone CAS Name: 3-methoxy-4-methyl-4-nitro-5-phenethyl-1-cyclohexanone IUPAC Name: 3-methoxy-4-methyl-4-nitro-5-phenethylcyclohexan-1-one Traditional Name: 3-methoxy-4-methyl-4-nitro-5-phenethyl-cyclohexanone Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CC(=O)CC1OC)CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1(C(CC(=O)CC1OC)CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-16(17(19)20)13(10-14(18)11-15(16)21-2)9-8-12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3