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

Systemtic Name: N3-ethyl-N3-[(2-methoxyphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: N3-ethyl-N3-[(2-methoxyphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: N3-ethyl-N3-[(2-methoxyphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 3-N-ethyl-3-N-[(2-methoxyphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: [3-amino-2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-o-anisyl-amine Formula: C17H17F3N4O5 MolecularWeight: 414.33589

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1OC)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC=CC=C1OC)C2=C(C=C(C(=C2[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17F3N4O5/c1-3-22(9-10-6-4-5-7-13(10)29-2)15-12(23(25)26)8-11(17(18,19)20)14(21)16(15)24(27)28/h4-8H,3,9,21H2,1-2H3