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

Systemtic Name: methyl (2S)-2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]ethanoate Openeye Name: methyl (2S)-2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate CAS Name: (2S)-2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetate Traditional Name: (2S)-2-cyano-2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid methyl ester Formula: C11H7F3N2O4 MolecularWeight: 288.17949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H](C#N)C1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H7F3N2O4/c1-20-10(17)8(5-15)7-3-2-6(11(12,13)14)4-9(7)16(18)19/h2-4,8H,1H3/t8-/m1/s1