N-butyl-N-ethyl-3,4-dinitro-2-(trifluoromethyl)aniline

Systemtic Name: N-butyl-N-ethyl-3,4-dinitro-2-(trifluoromethyl)aniline Openeye Name: N-butyl-N-ethyl-3,4-dinitro-2-(trifluoromethyl)aniline CAS Name: N-butyl-N-ethyl-3,4-dinitro-2-(trifluoromethyl)aniline IUPAC Name: N-butyl-N-ethyl-3,4-dinitro-2-(trifluoromethyl)aniline Traditional Name: butyl-[3,4-dinitro-2-(trifluoromethyl)phenyl]-ethyl-amine Formula: C13H16F3N3O4 MolecularWeight: 335.27905

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16F3N3O4/c1-3-5-8-17(4-2)9-6-7-10(18(20)21)12(19(22)23)11(9)13(14,15)16/h6-7H,3-5,8H2,1-2H3