N1,N1-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine; ethanoic acid

Systemtic Name: N1,N1-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine; ethanoic acid Openeye Name: acetic acid; N1,N1-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: acetic acid; N1,N1-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: acetic acid; 1-N,1-N-diethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: acetic acid; [3-amino-2,4-dinitro-6-(trifluoromethyl)phenyl]-diethyl-amine Formula: C13H17F3N4O6 MolecularWeight: 382.29249

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N)[N+](=O)[O-].CC(=O)O

Isomeric SMILES

CCN(CC)C1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])N)[N+](=O)[O-].CC(=O)O

InChI

InChI=1S/C11H13F3N4O4.C2H4O2/c1-3-16(4-2)9-6(11(12,13)14)5-7(17(19)20)8(15)10(9)18(21)22;1-2(3)4/h5H,3-4,15H2,1-2H3;1H3,(H,3,4)