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

Systemtic Name: N,N-diethyl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Openeye Name: N,N-diethyl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline CAS Name: N,N-diethyl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline IUPAC Name: N,N-diethyl-3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)aniline Traditional Name: diethyl-[3-(3-methylphenoxy)-2,6-dinitro-4-(trifluoromethyl)phenyl]amine Formula: C18H18F3N3O5 MolecularWeight: 413.34783

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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)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)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C18H18F3N3O5/c1-4-22(5-2)15-14(23(25)26)10-13(18(19,20)21)17(16(15)24(27)28)29-12-8-6-7-11(3)9-12/h6-10H,4-5H2,1-3H3