3-[4-chloranyl-2-fluoranyl-5-(2-nitrophenoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 3-[4-chloranyl-2-fluoranyl-5-(2-nitrophenoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 3-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 3-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 3-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 3-[4-chloro-2-fluoro-5-(2-nitrophenoxy)phenyl]-6-(trifluoromethyl)pyrimidin-4-one Formula: C17H8ClF4N3O4 MolecularWeight: 429.709733

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C(C=C(C(=C2)N3C=NC(=CC3=O)C(F)(F)F)F)Cl

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OC2=C(C=C(C(=C2)N3C=NC(=CC3=O)C(F)(F)F)F)Cl

InChI

InChI=1S/C17H8ClF4N3O4/c18-9-5-10(19)12(24-8-23-15(7-16(24)26)17(20,21)22)6-14(9)29-13-4-2-1-3-11(13)25(27)28/h1-8H