1-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]amino]pyrazole-4-carbonitrile Openeye Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]pyrazole-4-carbonitrile CAS Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]pyrazole-4-carbonitrile Traditional Name: 1-methyl-3-[2-nitro-4-(trifluoromethyl)anilino]pyrazole-4-carbonitrile Formula: C12H8F3N5O2 MolecularWeight: 311.21943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

Isomeric SMILES

CN1C=C(C(=N1)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H8F3N5O2/c1-19-6-7(5-16)11(18-19)17-9-3-2-8(12(13,14)15)4-10(9)20(21)22/h2-4,6H,1H3,(H,17,18)