2-azanyl-3-[(E)-(2-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one

Systemtic Name: 2-azanyl-3-[(E)-(2-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one Openeye Name: 2-amino-3-[(E)-(2-nitrophenyl)methyleneamino]-6-(trifluoromethyl)pyrimidin-4-one CAS Name: 2-amino-3-[(E)-(2-nitrophenyl)methylideneamino]-6-(trifluoromethyl)-4-pyrimidinone IUPAC Name: 2-amino-3-[(E)-(2-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one Traditional Name: 2-amino-3-[(E)-(2-nitrobenzylidene)amino]-6-(trifluoromethyl)pyrimidin-4-one Formula: C12H8F3N5O3 MolecularWeight: 327.21883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C(=O)C=C(N=C2N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/N2C(=O)C=C(N=C2N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H8F3N5O3/c13-12(14,15)9-5-10(21)19(11(16)18-9)17-6-7-3-1-2-4-8(7)20(22)23/h1-6H,(H2,16,18)/b17-6+