tert-butyl 2-cyano-3-[3-nitro-5-(trifluoromethyl)phenyl]-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyano-3-[3-nitro-5-(trifluoromethyl)phenyl]-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-cyano-3-[3-nitro-5-(trifluoromethyl)phenyl]-3-oxo-propanoate CAS Name: 2-cyano-3-[3-nitro-5-(trifluoromethyl)phenyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-cyano-3-[3-nitro-5-(trifluoromethyl)phenyl]-3-oxopropanoate Traditional Name: 2-cyano-3-keto-3-[3-nitro-5-(trifluoromethyl)phenyl]propionic acid tert-butyl ester Formula: C15H13F3N2O5 MolecularWeight: 358.26933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C15H13F3N2O5/c1-14(2,3)25-13(22)11(7-19)12(21)8-4-9(15(16,17)18)6-10(5-8)20(23)24/h4-6,11H,1-3H3