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

Systemtic Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Openeye Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile CAS Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]-4-pyrazolecarbonitrile IUPAC Name: 3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carbonitrile Traditional Name: 3-nitro-1-[3-(trifluoromethyl)benzyl]pyrazole-4-carbonitrile Formula: C12H7F3N4O2 MolecularWeight: 296.20479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C(=N2)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CN2C=C(C(=N2)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H7F3N4O2/c13-12(14,15)10-3-1-2-8(4-10)6-18-7-9(5-16)11(17-18)19(20)21/h1-4,7H,6H2