5-methyl-N-(2-methylbut-3-yn-2-yl)-2,4-dinitro-aniline

Systemtic Name: 5-methyl-N-(2-methylbut-3-yn-2-yl)-2,4-dinitro-aniline Openeye Name: N-(1,1-dimethylprop-2-ynyl)-5-methyl-2,4-dinitro-aniline CAS Name: 5-methyl-N-(2-methylbut-3-yn-2-yl)-2,4-dinitroaniline IUPAC Name: 5-methyl-N-(2-methylbut-3-yn-2-yl)-2,4-dinitroaniline Traditional Name: 1,1-dimethylprop-2-ynyl-(5-methyl-2,4-dinitro-phenyl)amine Formula: C12H13N3O4 MolecularWeight: 263.24932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C)(C)C#C

Isomeric SMILES

CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(C)(C)C#C

InChI

InChI=1S/C12H13N3O4/c1-5-12(3,4)13-9-6-8(2)10(14(16)17)7-11(9)15(18)19/h1,6-7,13H,2-4H3