[2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate

Systemtic Name: [2-[[4-nitro-2-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-phenylbutanoate Openeye Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-nitro-2-(trifluoromethyl)anilino]-2-oxoethyl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-[4-nitro-2-(trifluoromethyl)anilino]ethyl] ester Formula: C19H17F3N2O5 MolecularWeight: 410.34389

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)C2=CC=CC=C2

InChI

InChI=1S/C19H17F3N2O5/c1-12(13-5-3-2-4-6-13)9-18(26)29-11-17(25)23-16-8-7-14(24(27)28)10-15(16)19(20,21)22/h2-8,10,12H,9,11H2,1H3,(H,23,25)