5-(4-tert-butyl-3-nitro-phenyl)-1-cyclohexyl-pentan-2-one

Systemtic Name: 5-(4-tert-butyl-3-nitro-phenyl)-1-cyclohexyl-pentan-2-one Openeye Name: 5-(4-tert-butyl-3-nitro-phenyl)-1-cyclohexyl-pentan-2-one CAS Name: 5-(4-tert-butyl-3-nitrophenyl)-1-cyclohexyl-2-pentanone IUPAC Name: 5-(4-tert-butyl-3-nitrophenyl)-1-cyclohexylpentan-2-one Traditional Name: 5-(4-tert-butyl-3-nitro-phenyl)-1-cyclohexyl-pentan-2-one Formula: C21H31NO3 MolecularWeight: 345.47574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCCC(=O)CC2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCCC(=O)CC2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C21H31NO3/c1-21(2,3)19-13-12-17(15-20(19)22(24)25)10-7-11-18(23)14-16-8-5-4-6-9-16/h12-13,15-16H,4-11,14H2,1-3H3