2-[[3,5-bis(fluoranyl)-4-methyl-2-nitro-phenyl]-fluoranyl-methyl]cyclohexane-1,3-dione

Systemtic Name: 2-[[3,5-bis(fluoranyl)-4-methyl-2-nitro-phenyl]-fluoranyl-methyl]cyclohexane-1,3-dione Openeye Name: 2-[(3,5-difluoro-4-methyl-2-nitro-phenyl)-fluoro-methyl]cyclohexane-1,3-dione CAS Name: 2-[(3,5-difluoro-4-methyl-2-nitrophenyl)-fluoromethyl]cyclohexane-1,3-dione IUPAC Name: 2-[(3,5-difluoro-4-methyl-2-nitrophenyl)-fluoromethyl]cyclohexane-1,3-dione Traditional Name: 2-[(3,5-difluoro-4-methyl-2-nitro-phenyl)-fluoro-methyl]cyclohexane-1,3-quinone Formula: C14H12F3NO4 MolecularWeight: 315.24459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1F)[N+](=O)[O-])C(C2C(=O)CCCC2=O)F)F

Isomeric SMILES

CC1=C(C=C(C(=C1F)[N+](=O)[O-])C(C2C(=O)CCCC2=O)F)F

InChI

InChI=1S/C14H12F3NO4/c1-6-8(15)5-7(14(12(6)16)18(21)22)13(17)11-9(19)3-2-4-10(11)20/h5,11,13H,2-4H2,1H3