5-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-triazol-3-amine

Systemtic Name: 5-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-triazol-3-amine Openeye Name: 5-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-triazol-3-amine CAS Name: 5-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-triazol-3-amine IUPAC Name: 5-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-diethyl-1,2,4-triazol-3-amine Traditional Name: [5-tert-butyl-2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]-diethyl-amine Formula: C17H21F3N6O4 MolecularWeight: 430.38165

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=NN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCN(CC)C1=NC(=NN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C17H21F3N6O4/c1-6-23(7-2)15-21-14(16(3,4)5)22-24(15)13-11(25(27)28)8-10(17(18,19)20)9-12(13)26(29)30/h8-9H,6-7H2,1-5H3