1-(4-chloranyl-3-nitro-phenyl)-3-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]urea

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)-3-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]urea Openeye Name: 1-(4-chloro-3-nitro-phenyl)-3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]urea CAS Name: 1-(4-chloro-3-nitrophenyl)-3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]urea IUPAC Name: 1-(4-chloro-3-nitrophenyl)-3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]urea Traditional Name: 1-(4-chloro-3-nitro-phenyl)-3-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]urea Formula: C12H7ClF3N5O4 MolecularWeight: 377.66329

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=NC(=O)C=C(N2)C(F)(F)F)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=NC(=O)C=C(N2)C(F)(F)F)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H7ClF3N5O4/c13-6-2-1-5(3-7(6)21(24)25)17-11(23)20-10-18-8(12(14,15)16)4-9(22)19-10/h1-4H,(H3,17,18,19,20,22,23)