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

Systemtic Name: ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanoate Openeye Name: ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate CAS Name: 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate Traditional Name: 2-cyano-2-[2-nitro-4-(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=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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