[2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-chloranyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 4-[(4-fluorophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-chloro-3-nitro-phenyl)-2-oxo-ethyl] 4-(4-fluoroanilino)-4-oxo-butanoate CAS Name: 4-(4-fluoroanilino)-4-oxobutanoic acid [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-(4-fluoroanilino)-4-oxobutanoate Traditional Name: 4-(4-fluoroanilino)-4-keto-butyric acid [2-(4-chloro-3-nitro-phenyl)-2-keto-ethyl] ester Formula: C18H14ClFN2O6 MolecularWeight: 408.764963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCC(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F

InChI

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