[2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H11FN2O5S MolecularWeight: 374.343043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C17H11FN2O5S/c18-13-5-2-6-14-12(13)8-15(26-14)17(22)25-9-16(21)19-10-3-1-4-11(7-10)20(23)24/h1-8H,9H2,(H,19,21)