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

Systemtic Name: N-butyl-3-chloranyl-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-butyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-butyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-butyl-3-chloro-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: butyl-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C11H11ClF3N3O4 MolecularWeight: 341.67095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11ClF3N3O4/c1-2-3-4-16-9-7(17(19)20)5-6(11(13,14)15)8(12)10(9)18(21)22/h5,16H,2-4H2,1H3