5-ethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: 5-ethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: 5-ethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: 5-ethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 5-ethyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-5-ethyl-2,4-dinitro-6-(trifluoromethyl)phenyl]amine Formula: C9H9F3N4O4 MolecularWeight: 294.18737

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)C(F)(F)F

Isomeric SMILES

CCC1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])N)C(F)(F)F

InChI

InChI=1S/C9H9F3N4O4/c1-2-3-4(9(10,11)12)5(13)8(16(19)20)6(14)7(3)15(17)18/h2,13-14H2,1H3