[2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-fluorophenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-chloro-2-nitro-anilino)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate CAS Name: 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(5-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-nitroanilino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate Traditional Name: 4-(4-fluorophenyl)-4-keto-butyric acid [2-(5-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14ClFN2O6 MolecularWeight: 408.764963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])F

InChI

InChI=1S/C18H14ClFN2O6/c19-12-3-6-15(22(26)27)14(9-12)21-17(24)10-28-18(25)8-7-16(23)11-1-4-13(20)5-2-11/h1-6,9H,7-8,10H2,(H,21,24)