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

Systemtic Name: N-but-3-en-2-yl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-ethyl-N-(1-methylallyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-but-3-en-2-yl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-but-3-en-2-yl-N-ethyl-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-ethyl-(1-methylallyl)amine Formula: C13H14F3N3O4 MolecularWeight: 333.26317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O4/c1-4-8(3)17(5-2)12-10(18(20)21)6-9(13(14,15)16)7-11(12)19(22)23/h4,6-8H,1,5H2,2-3H3