N3-tert-butyl-5-tert-butylimino-N4,N4,1,1-tetramethyl-1,2,4-triazol-1-ium-3,4-diamine; 2,4,6-trinitrophenolate

Systemtic Name: N3-tert-butyl-5-tert-butylimino-N4,N4,1,1-tetramethyl-1,2,4-triazol-1-ium-3,4-diamine; 2,4,6-trinitrophenolate Openeye Name: N3-tert-butyl-5-tert-butylimino-N4,N4,1,1-tetramethyl-1,2,4-triazol-1-ium-3,4-diamine; 2,4,6-trinitrophenolate CAS Name: N3-tert-butyl-5-tert-butylimino-N4,N4,1,1-tetramethyl-1,2,4-triazol-1-ium-3,4-diamine; 2,4,6-trinitrophenolate IUPAC Name: 3-N-tert-butyl-5-tert-butylimino-4-N,4-N,1,1-tetramethyl-1,2,4-triazol-1-ium-3,4-diamine; 2,4,6-trinitrophenolate Traditional Name: [3-(tert-butylamino)-5-tert-butylimino-1,1-dimethyl-1,2,4-triazol-1-ium-4-yl]-dimethyl-amine picrate Formula: C20H33N9O7 MolecularWeight: 511.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC1=N[N+](C(=NC(C)(C)C)N1N(C)C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC1=N[N+](C(=NC(C)(C)C)N1N(C)C)(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H31N6.C6H3N3O7/c1-13(2,3)15-11-17-20(9,10)12(16-14(4,5)6)19(11)18(7)8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-10H3,(H,15,17);1-2,10H/q+1;/p-1