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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16F3N3O5/c1-3-21(4-2)14-13(22(24)25)10-12(17(18,19)20)16(15(14)23(26)27)28-11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3