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

Systemtic Name: N-butyl-3-(4-chloranylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-butyl-3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-butyl-3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-butyl-3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: butyl-[3-(4-chlorophenoxy)-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C17H15ClF3N3O5 MolecularWeight: 433.76631

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCNC1=C(C=C(C(=C1[N+](=O)[O-])OC2=CC=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClF3N3O5/c1-2-3-8-22-14-13(23(25)26)9-12(17(19,20)21)16(15(14)24(27)28)29-11-6-4-10(18)5-7-11/h4-7,9,22H,2-3,8H2,1H3