3-ethyl-2,6-dinitro-N-propan-2-yl-4-(trifluoromethyl)aniline

Systemtic Name: 3-ethyl-2,6-dinitro-N-propan-2-yl-4-(trifluoromethyl)aniline Openeye Name: 3-ethyl-N-isopropyl-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: 3-ethyl-2,6-dinitro-N-propan-2-yl-4-(trifluoromethyl)aniline IUPAC Name: 3-ethyl-2,6-dinitro-N-propan-2-yl-4-(trifluoromethyl)aniline Traditional Name: [3-ethyl-2,6-dinitro-4-(trifluoromethyl)phenyl]-isopropyl-amine Formula: C12H14F3N3O4 MolecularWeight: 321.25247

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14F3N3O4/c1-4-7-8(12(13,14)15)5-9(17(19)20)10(16-6(2)3)11(7)18(21)22/h5-6,16H,4H2,1-3H3