[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 4-fluorobenzothiophene-2-carboxylate CAS Name: 4-fluoro-1-benzothiophene-2-carboxylic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 4-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 4-fluorobenzothiophene-2-carboxylic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H10FN3O5S MolecularWeight: 399.352503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

Isomeric SMILES

C1=CC(=C2C=C(SC2=C1)C(=O)OCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N)F

InChI

InChI=1S/C18H10FN3O5S/c19-13-2-1-3-15-12(13)7-16(28-15)18(24)27-9-17(23)21-14-5-4-11(22(25)26)6-10(14)8-20/h1-7H,9H2,(H,21,23)