3-azanyl-5-[3-[[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile

Systemtic Name: 3-azanyl-5-[3-[[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]amino]propyl]-1H-pyrazole-4-carbonitrile Openeye Name: 3-amino-5-[3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile CAS Name: 3-amino-5-[3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile IUPAC Name: 3-amino-5-[3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile Traditional Name: 3-amino-5-[3-[5-chloro-2-nitro-4-(trifluoromethyl)anilino]propyl]-1H-pyrazole-4-carbonitrile Formula: C14H12ClF3N6O2 MolecularWeight: 388.73229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12ClF3N6O2/c15-9-5-11(12(24(25)26)4-8(9)14(16,17)18)21-3-1-2-10-7(6-19)13(20)23-22-10/h4-5,21H,1-3H2,(H3,20,22,23)