[4-[[2-(3-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[2-(3-chlorophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[2-(3-chlorophenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-methoxy-phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[2-(3-chlorophenyl)-5-oxo-4-oxazolylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[2-(3-chlorophenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-methoxy-phenyl] ester Formula: C23H15ClN2O8S MolecularWeight: 514.8918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)Cl)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)Cl)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H15ClN2O8S/c1-32-21-11-14(10-19-23(27)33-22(25-19)15-4-2-5-16(24)12-15)8-9-20(21)34-35(30,31)18-7-3-6-17(13-18)26(28)29/h2-13H,1H3