(2-nitrophenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: (2-nitrophenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (2-nitrophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (2-nitrobenzyl) ester Formula: C16H12F3N3O6 MolecularWeight: 399.27819

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O6/c17-16(18,19)11-5-6-12(14(7-11)22(26)27)20-8-15(23)28-9-10-3-1-2-4-13(10)21(24)25/h1-7,20H,8-9H2