2-azanyl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-azanyl-3-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-amino-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-amino-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-amino-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-amino-3-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]-6-(trifluoromethyl)pyrimidin-4-one Formula: C13H11F3N6O3 MolecularWeight: 356.26005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C(NN2C(=O)C=C(N=C2N)C(F)(F)F)N=O)NO

Isomeric SMILES

C1=CC=C(C=C1)/C(=C(/NN2C(=O)C=C(N=C2N)C(F)(F)F)\N=O)/NO

InChI

InChI=1S/C13H11F3N6O3/c14-13(15,16)8-6-9(23)22(12(17)18-8)19-11(21-25)10(20-24)7-4-2-1-3-5-7/h1-6,19-20,24H,(H2,17,18)/b11-10+