5-azanyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile

Systemtic Name: 5-azanyl-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Openeye Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile CAS Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-pyrazolecarbonitrile IUPAC Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Traditional Name: 5-amino-1-[2,6-dinitro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile Formula: C11H5F3N6O4 MolecularWeight: 342.19041

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=C(C=N2)C#N)N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])N2C(=C(C=N2)C#N)N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C11H5F3N6O4/c12-11(13,14)6-1-7(19(21)22)9(8(2-6)20(23)24)18-10(16)5(3-15)4-17-18/h1-2,4H,16H2