2-[4-chloranyl-6-(2-fluoranyl-5-methoxy-phenyl)-5-nitro-pyrimidin-2-yl]cyclohexan-1-one

Systemtic Name: 2-[4-chloranyl-6-(2-fluoranyl-5-methoxy-phenyl)-5-nitro-pyrimidin-2-yl]cyclohexan-1-one Openeye Name: 2-[4-chloro-6-(2-fluoro-5-methoxy-phenyl)-5-nitro-pyrimidin-2-yl]cyclohexanone CAS Name: 2-[4-chloro-6-(2-fluoro-5-methoxyphenyl)-5-nitro-2-pyrimidinyl]-1-cyclohexanone IUPAC Name: 2-[4-chloro-6-(2-fluoro-5-methoxyphenyl)-5-nitropyrimidin-2-yl]cyclohexan-1-one Traditional Name: 2-[4-chloro-6-(2-fluoro-5-methoxy-phenyl)-5-nitro-pyrimidin-2-yl]cyclohexanone Formula: C17H15ClFN3O4 MolecularWeight: 379.770103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)F)C2=C(C(=NC(=N2)C3CCCCC3=O)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)F)C2=C(C(=NC(=N2)C3CCCCC3=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClFN3O4/c1-26-9-6-7-12(19)11(8-9)14-15(22(24)25)16(18)21-17(20-14)10-4-2-3-5-13(10)23/h6-8,10H,2-5H2,1H3