3-(4-chloranyl-2-nitro-phenyl)-6-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)-6-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one Openeye Name: 3-(4-chloro-2-nitro-phenyl)-6-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one CAS Name: 3-(4-chloro-2-nitrophenyl)-6-methyl-2-[4-(trifluoromethyl)cyclohexyl]-4-pyrimidinone IUPAC Name: 3-(4-chloro-2-nitrophenyl)-6-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one Traditional Name: 3-(4-chloro-2-nitro-phenyl)-6-methyl-2-[4-(trifluoromethyl)cyclohexyl]pyrimidin-4-one Formula: C18H17ClF3N3O3 MolecularWeight: 415.79409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)C2CCC(CC2)C(F)(F)F)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N(C(=N1)C2CCC(CC2)C(F)(F)F)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClF3N3O3/c1-10-8-16(26)24(14-7-6-13(19)9-15(14)25(27)28)17(23-10)11-2-4-12(5-3-11)18(20,21)22/h6-9,11-12H,2-5H2,1H3