methyl 3-[2-cyano-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-cyano-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethanoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-cyano-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetyl]-5-nitro-benzoate CAS Name: 3-[2-cyano-1-oxo-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]ethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-cyano-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetyl]-5-nitrobenzoate Traditional Name: 3-[2-cyano-2-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetyl]-5-nitro-benzoic acid methyl ester Formula: C19H10F3N3O5S MolecularWeight: 449.36001

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)C(C#N)C2=NC3=C(S2)C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)C(C#N)C2=NC3=C(S2)C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H10F3N3O5S/c1-30-18(27)10-4-9(5-12(6-10)25(28)29)16(26)13(8-23)17-24-14-3-2-11(19(20,21)22)7-15(14)31-17/h2-7,13H,1H3