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

Systemtic Name: [2-[[2-[bis(fluoranyl)methoxy]phenyl]amino]-2-oxidanylidene-ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [2-[2-(difluoromethoxy)anilino]-2-oxo-ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [2-[2-(difluoromethoxy)anilino]-2-keto-ethyl] ester Formula: C18H12F2N2O6S MolecularWeight: 422.359486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12F2N2O6S/c19-18(20)28-13-4-2-1-3-12(13)21-16(23)9-27-17(24)15-8-10-7-11(22(25)26)5-6-14(10)29-15/h1-8,18H,9H2,(H,21,23)