N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Openeye Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide CAS Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline; 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide IUPAC Name: N-butyl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline; 4-(dipropylamino)-3,5-dinitrobenzenesulfonamide Traditional Name: butyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-amine; 4-(dipropylamino)-3,5-dinitro-benzenesulfonamide Formula: C25H34F3N7O10S MolecularWeight: 681.63857

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-].CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C13H16F3N3O4.C12H18N4O6S/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23;1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3,(H2,13,21,22)