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

Systemtic Name: methyl 4-[[[2-nitro-4-(trifluoromethyl)phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoate CAS Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoate Traditional Name: 4-[[2-nitro-4-(trifluoromethyl)anilino]methyl]benzoic acid methyl ester Formula: C16H13F3N2O4 MolecularWeight: 354.28063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O4/c1-25-15(22)11-4-2-10(3-5-11)9-20-13-7-6-12(16(17,18)19)8-14(13)21(23)24/h2-8,20H,9H2,1H3