3,3-dimethyl-2-[(4-nitrophenyl)methyl]cyclohexan-1-one

Systemtic Name: 3,3-dimethyl-2-[(4-nitrophenyl)methyl]cyclohexan-1-one Openeye Name: 3,3-dimethyl-2-[(4-nitrophenyl)methyl]cyclohexanone CAS Name: 3,3-dimethyl-2-[(4-nitrophenyl)methyl]-1-cyclohexanone IUPAC Name: 3,3-dimethyl-2-[(4-nitrophenyl)methyl]cyclohexan-1-one Traditional Name: 3,3-dimethyl-2-(4-nitrobenzyl)cyclohexanone Formula: C15H19NO3 MolecularWeight: 261.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC(=O)C1CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CCCC(=O)C1CC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C15H19NO3/c1-15(2)9-3-4-14(17)13(15)10-11-5-7-12(8-6-11)16(18)19/h5-8,13H,3-4,9-10H2,1-2H3