[4-[[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate

Systemtic Name: [4-[[2-(4-chloranyl-3-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate Openeye Name: [4-[[2-(4-chloro-3-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate CAS Name: butanoic acid [4-[[2-(4-chloro-3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[[2-(4-chloro-3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] butanoate Traditional Name: butyric acid [4-[[2-(4-chloro-3-nitro-phenyl)-5-keto-2-oxazolin-4-ylidene]methyl]-2-ethoxy-phenyl] ester Formula: C22H19ClN2O7 MolecularWeight: 458.84846

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC

Isomeric SMILES

CCCC(=O)OC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H19ClN2O7/c1-3-5-20(26)31-18-9-6-13(11-19(18)30-4-2)10-16-22(27)32-21(24-16)14-7-8-15(23)17(12-14)25(28)29/h6-12H,3-5H2,1-2H3