5-(4-bromophenyl)-3,3-dimethyl-4-nitro-cyclohexan-1-one

Systemtic Name: 5-(4-bromophenyl)-3,3-dimethyl-4-nitro-cyclohexan-1-one Openeye Name: 5-(4-bromophenyl)-3,3-dimethyl-4-nitro-cyclohexanone CAS Name: 5-(4-bromophenyl)-3,3-dimethyl-4-nitro-1-cyclohexanone IUPAC Name: 5-(4-bromophenyl)-3,3-dimethyl-4-nitrocyclohexan-1-one Traditional Name: 5-(4-bromophenyl)-3,3-dimethyl-4-nitro-cyclohexanone Formula: C14H16BrNO3 MolecularWeight: 326.18574

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(C1[N+](=O)[O-])C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1(CC(=O)CC(C1[N+](=O)[O-])C2=CC=C(C=C2)Br)C

InChI

InChI=1S/C14H16BrNO3/c1-14(2)8-11(17)7-12(13(14)16(18)19)9-3-5-10(15)6-4-9/h3-6,12-13H,7-8H2,1-2H3