N3-ethyl-N3-[(2-fluorophenyl)methyl]-N1-methyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine

Systemtic Name: N3-ethyl-N3-[(2-fluorophenyl)methyl]-N1-methyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: N3-ethyl-N3-[(2-fluorophenyl)methyl]-N1-methyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: N3-ethyl-N3-[(2-fluorophenyl)methyl]-N1-methyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 3-N-ethyl-3-N-[(2-fluorophenyl)methyl]-1-N-methyl-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: ethyl-(2-fluorobenzyl)-[3-(methylamino)-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C17H16F4N4O4 MolecularWeight: 416.326953

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1F)C2=C(C=C(C(=C2[N+](=O)[O-])NC)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1F)C2=C(C=C(C(=C2[N+](=O)[O-])NC)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F4N4O4/c1-3-23(9-10-6-4-5-7-12(10)18)15-13(24(26)27)8-11(17(19,20)21)14(22-2)16(15)25(28)29/h4-8,22H,3,9H2,1-2H3