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

Systemtic Name: [2-ethoxy-4-[[2-(3-nitrophenyl)-5-oxidanylidene-1,3-oxazol-4-ylidene]methyl]phenyl] butanoate Openeye Name: [2-ethoxy-4-[[2-(3-nitrophenyl)-5-oxo-oxazol-4-ylidene]methyl]phenyl] butanoate CAS Name: butanoic acid [2-ethoxy-4-[[2-(3-nitrophenyl)-5-oxo-4-oxazolylidene]methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[[2-(3-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] butanoate Traditional Name: butyric acid [2-ethoxy-4-[[5-keto-2-(3-nitrophenyl)-2-oxazolin-4-ylidene]methyl]phenyl] ester Formula: C22H20N2O7 MolecularWeight: 424.4034

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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(=CC=C3)[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O7/c1-3-6-20(25)30-18-10-9-14(12-19(18)29-4-2)11-17-22(26)31-21(23-17)15-7-5-8-16(13-15)24(27)28/h5,7-13H,3-4,6H2,1-2H3