N-butan-2-yl-2,6-dinitro-3-phenoxy-4-(trifluoromethyl)aniline

Systemtic Name: N-butan-2-yl-2,6-dinitro-3-phenoxy-4-(trifluoromethyl)aniline Openeye Name: 2,6-dinitro-3-phenoxy-N-sec-butyl-4-(trifluoromethyl)aniline CAS Name: N-butan-2-yl-2,6-dinitro-3-phenoxy-4-(trifluoromethyl)aniline IUPAC Name: N-butan-2-yl-2,6-dinitro-3-phenoxy-4-(trifluoromethyl)aniline Traditional Name: [2,6-dinitro-3-phenoxy-4-(trifluoromethyl)phenyl]-sec-butyl-amine Formula: C17H16F3N3O5 MolecularWeight: 399.32125

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])OC2=CC=CC=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC1=C(C=C(C(=C1[N+](=O)[O-])OC2=CC=CC=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H16F3N3O5/c1-3-10(2)21-14-13(22(24)25)9-12(17(18,19)20)16(15(14)23(26)27)28-11-7-5-4-6-8-11/h4-10,21H,3H2,1-2H3