1-methyl-5-(3-nitrophenoxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 1-methyl-5-(3-nitrophenoxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 1-methyl-5-(3-nitrophenoxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 1-methyl-5-(3-nitrophenoxy)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 1-methyl-5-(3-nitrophenoxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 1-methyl-5-(3-nitrophenoxy)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C12H7F3N4O3 MolecularWeight: 312.20419

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C(F)(F)F)C#N)OC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C(=N1)C(F)(F)F)C#N)OC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H7F3N4O3/c1-18-11(9(6-16)10(17-18)12(13,14)15)22-8-4-2-3-7(5-8)19(20)21/h2-5H,1H3