N,N-dibutyl-3-chloranyl-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N,N-dibutyl-3-chloranyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N,N-dibutyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N,N-dibutyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N,N-dibutyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: dibutyl-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C15H19ClF3N3O4 MolecularWeight: 397.77727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClF3N3O4/c1-3-5-7-20(8-6-4-2)13-11(21(23)24)9-10(15(17,18)19)12(16)14(13)22(25)26/h9H,3-8H2,1-2H3