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methyl 4-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]-methyl-amino]methyl]benzoate
methyl 4-[[[2,6-dinitro-4-(trifluoromethyl)phenyl]-methyl-amino]methyl]benzoate
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Descriptors Computed from Structure
Canonical SMILES:
CN(CC1=CC=C(C=C1)C(=O)OC)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
CN(CC1=CC=C(C=C1)C(=O)OC)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C17H14F3N3O6/c1-21(9-10-3-5-11(6-4-10)16(24)29-2)15-13(22(25)26)7-12(17(18,19)20)8-14(15)23(27)28/h3-8H,9H2,1-2H3
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