4-(4-tert-butyl-3-nitro-phenyl)-1-cycloheptyl-butan-2-one

Systemtic Name: 4-(4-tert-butyl-3-nitro-phenyl)-1-cycloheptyl-butan-2-one Openeye Name: 4-(4-tert-butyl-3-nitro-phenyl)-1-cycloheptyl-butan-2-one CAS Name: 4-(4-tert-butyl-3-nitrophenyl)-1-cycloheptyl-2-butanone IUPAC Name: 4-(4-tert-butyl-3-nitrophenyl)-1-cycloheptylbutan-2-one Traditional Name: 4-(4-tert-butyl-3-nitro-phenyl)-1-cycloheptyl-butan-2-one Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(=O)CC2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(=O)CC2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C21H31NO3/c1-21(2,3)19-13-11-17(15-20(19)22(24)25)10-12-18(23)14-16-8-6-4-5-7-9-16/h11,13,15-16H,4-10,12,14H2,1-3H3