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

Systemtic Name: (4-tert-butylphenyl)methyl 2-[[2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-[2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid (4-tert-butylbenzyl) ester Formula: C20H21F3N2O4 MolecularWeight: 410.38695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2O4/c1-19(2,3)14-6-4-13(5-7-14)12-29-18(26)11-24-16-9-8-15(20(21,22)23)10-17(16)25(27)28/h4-10,24H,11-12H2,1-3H3