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

Systemtic Name: [4-[[2-(2-chloranyl-4-nitro-phenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate Openeye Name: [4-[[2-(2-chloro-4-nitro-phenyl)-5-oxo-oxazol-4-ylidene]methyl]-2-ethoxy-phenyl] butanoate CAS Name: butanoic acid [4-[[2-(2-chloro-4-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[[2-(2-chloro-4-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenyl] butanoate Traditional Name: butyric acid [4-[[2-(2-chloro-4-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=C(C=C(C=C3)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

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

InChI

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