N-(4-hexoxyphenyl)-2,6-dinitro-4-(trifluoromethyl)aniline

Systemtic Name: N-(4-hexoxyphenyl)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N-(4-hexoxyphenyl)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N-(4-hexoxyphenyl)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N-(4-hexoxyphenyl)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-4-(trifluoromethyl)phenyl]-(4-hexoxyphenyl)amine Formula: C19H20F3N3O5 MolecularWeight: 427.37441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N3O5/c1-2-3-4-5-10-30-15-8-6-14(7-9-15)23-18-16(24(26)27)11-13(19(20,21)22)12-17(18)25(28)29/h6-9,11-12,23H,2-5,10H2,1H3