[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C21H20N2O9 MolecularWeight: 444.3915

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C21H20N2O9/c1-27-16-6-5-12(7-18(16)28-2)17-8-13(22-32-17)11-31-21(24)14-9-19(29-3)20(30-4)10-15(14)23(25)26/h5-10H,11H2,1-4H3