[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl] ester Formula: C16H12ClFN2O6S MolecularWeight: 414.792683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClFN2O6S/c17-14-5-4-13(27-14)12(21)3-6-16(23)26-8-15(22)19-11-7-9(20(24)25)1-2-10(11)18/h1-2,4-5,7H,3,6,8H2,(H,19,22)