6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: 6-chloranyl-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: 6-chloro-N4-ethyl-N2-isopropyl-1,3,5-triazine-2,4-diamine; N-ethyl-N-(2-methylallyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 6-chloro-N4-ethyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine; N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: 6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine; N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [4-chloro-6-(ethylamino)-s-triazin-2-yl]-isopropyl-amine; [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-(2-methylallyl)amine Formula: C21H28ClF3N8O4 MolecularWeight: 548.94643

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)Cl)NC(C)C.CCN(CC(=C)C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCNC1=NC(=NC(=N1)Cl)NC(C)C.CCN(CC(=C)C)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H14F3N3O4.C8H14ClN5/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23;1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5-6H,2,4,7H2,1,3H3;5H,4H2,1-3H3,(H2,10,11,12,13,14)