[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-6-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-chloro-6-fluoro-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-fluoro-benzothiophene-2-carboxylic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C17H9Cl2FN2O5S MolecularWeight: 443.233163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H9Cl2FN2O5S/c18-11-4-2-9(6-12(11)22(25)26)21-14(23)7-27-17(24)16-15(19)10-3-1-8(20)5-13(10)28-16/h1-6H,7H2,(H,21,23)