N3-ethyl-N3-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: N3-ethyl-N3-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: N3-ethyl-2,4-dinitro-N3-(o-tolylmethyl)-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: N3-ethyl-N3-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 3-N-ethyl-3-N-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-(2-methylbenzyl)amine Formula: C17H17F3N4O4 MolecularWeight: 398.33649

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1C)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1C)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O4/c1-3-22(9-11-7-5-4-6-10(11)2)15-13(23(25)26)8-12(17(18,19)20)14(21)16(15)24(27)28/h4-8H,3,9,21H2,1-2H3