N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-ethyl-N-(2-methylallyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-(2-methylallyl)amine Formula: C13H14F3N3O4 MolecularWeight: 333.26317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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