[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C17H9F2NO5S MolecularWeight: 377.318866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F)F

Isomeric SMILES

C1=CC(=C(C=C1C(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])F)F

InChI

InChI=1S/C17H9F2NO5S/c18-12-3-1-9(6-13(12)19)14(21)8-25-17(22)16-7-10-5-11(20(23)24)2-4-15(10)26-16/h1-7H,8H2