N-(2-methylbut-3-yn-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(2-methylbut-3-yn-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(1,1-dimethylprop-2-ynyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-(2-methylbut-3-yn-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(2-methylbut-3-yn-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: 1,1-dimethylprop-2-ynyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C12H10F3N3O4 MolecularWeight: 317.22071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#C)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C#C)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H10F3N3O4/c1-4-11(2,3)16-10-8(17(19)20)5-7(12(13,14)15)6-9(10)18(21)22/h1,5-6,16H,2-3H3