tert-butyl 2-[[5-imidazol-1-yl-2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[5-imidazol-1-yl-2-nitro-4-(trifluoromethyl)phenyl]amino]ethanoate Openeye Name: tert-butyl 2-[5-imidazol-1-yl-2-nitro-4-(trifluoromethyl)anilino]acetate CAS Name: 2-[5-(1-imidazolyl)-2-nitro-4-(trifluoromethyl)anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[5-imidazol-1-yl-2-nitro-4-(trifluoromethyl)anilino]acetate Traditional Name: 2-[5-imidazol-1-yl-2-nitro-4-(trifluoromethyl)anilino]acetic acid tert-butyl ester Formula: C16H17F3N4O4 MolecularWeight: 386.32579

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CNC1=C(C=C(C(=C1)N2C=CN=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H17F3N4O4/c1-15(2,3)27-14(24)8-21-11-7-12(22-5-4-20-9-22)10(16(17,18)19)6-13(11)23(25)26/h4-7,9,21H,8H2,1-3H3