3-azanyl-5-[3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[2,6-dinitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[2,6-dinitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[2,6-dinitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[2,6-dinitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile Formula: C14H12F3N7O4 MolecularWeight: 399.28479

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])NCCCC2=C(C(=NN2)N)C#N)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C14H12F3N7O4/c15-14(16,17)7-4-10(23(25)26)12(11(5-7)24(27)28)20-3-1-2-9-8(6-18)13(19)22-21-9/h4-5,20H,1-3H2,(H3,19,21,22)