2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-tert-butyl-4-nitro-pyrazol-3-amine

Systemtic Name: 2-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-5-tert-butyl-4-nitro-pyrazol-3-amine Openeye Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-amine CAS Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-3-pyrazolamine IUPAC Name: 5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitropyrazol-3-amine Traditional Name: [5-tert-butyl-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-nitro-pyrazol-3-yl]amine Formula: C14H13Cl2F3N4O2 MolecularWeight: 397.17983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1[N+](=O)[O-])N)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

InChI

InChI=1S/C14H13Cl2F3N4O2/c1-13(2,3)11-10(23(24)25)12(20)22(21-11)9-7(15)4-6(5-8(9)16)14(17,18)19/h4-5H,20H2,1-3H3