(3-nitrophenyl)methyl 4-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]amino]butanoate

Systemtic Name: (3-nitrophenyl)methyl 4-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]amino]butanoate Openeye Name: (3-nitrophenyl)methyl 4-oxo-4-[2-(trifluoromethyl)anilino]butanoate CAS Name: 4-oxo-4-[2-(trifluoromethyl)anilino]butanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 4-oxo-4-[2-(trifluoromethyl)anilino]butanoate Traditional Name: 4-keto-4-[2-(trifluoromethyl)anilino]butyric acid (3-nitrobenzyl) ester Formula: C18H15F3N2O5 MolecularWeight: 396.31731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC(=O)OCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H15F3N2O5/c19-18(20,21)14-6-1-2-7-15(14)22-16(24)8-9-17(25)28-11-12-4-3-5-13(10-12)23(26)27/h1-7,10H,8-9,11H2,(H,22,24)