[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-(2,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluoroanilino)-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-(2,6-difluoroanilino)-2-keto-ethyl] ester Formula: C17H10F2N2O5S MolecularWeight: 392.333506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10F2N2O5S/c18-11-2-1-3-12(19)16(11)20-15(22)8-26-17(23)14-7-9-6-10(21(24)25)4-5-13(9)27-14/h1-7H,8H2,(H,20,22)