ethyl 2-cyano-2-[4-nitro-3-(trifluoromethyl)phenyl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[4-nitro-3-(trifluoromethyl)phenyl]ethanoate Openeye Name: ethyl 2-cyano-2-[4-nitro-3-(trifluoromethyl)phenyl]acetate CAS Name: 2-cyano-2-[4-nitro-3-(trifluoromethyl)phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[4-nitro-3-(trifluoromethyl)phenyl]acetate Traditional Name: 2-cyano-2-[4-nitro-3-(trifluoromethyl)phenyl]acetic acid ethyl ester Formula: C12H9F3N2O4 MolecularWeight: 302.20607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9F3N2O4/c1-2-21-11(18)8(6-16)7-3-4-10(17(19)20)9(5-7)12(13,14)15/h3-5,8H,2H2,1H3