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

Systemtic Name: N3-ethyl-N1-methyl-N3-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Openeye Name: N3-ethyl-N1-methyl-2,4-dinitro-N3-(o-tolylmethyl)-6-(trifluoromethyl)benzene-1,3-diamine CAS Name: N3-ethyl-N1-methyl-N3-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine IUPAC Name: 3-N-ethyl-1-N-methyl-3-N-[(2-methylphenyl)methyl]-2,4-dinitro-6-(trifluoromethyl)benzene-1,3-diamine Traditional Name: ethyl-[3-(methylamino)-2,6-dinitro-4-(trifluoromethyl)phenyl]-(2-methylbenzyl)amine Formula: C18H19F3N4O4 MolecularWeight: 412.36307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N4O4/c1-4-23(10-12-8-6-5-7-11(12)2)16-14(24(26)27)9-13(18(19,20)21)15(22-3)17(16)25(28)29/h5-9,22H,4,10H2,1-3H3