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

Systemtic Name: [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [5-(3-methoxyphenyl)isoxazol-3-yl]methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [5-(3-methoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [5-(3-methoxyphenyl)isoxazol-3-yl]methyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O8/c1-26-14-6-4-5-12(7-14)17-8-13(21-30-17)11-29-20(23)15-9-18(27-2)19(28-3)10-16(15)22(24)25/h4-10H,11H2,1-3H3