O3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(3-o-phenetyl-1,2,4-oxadiazol-5-yl)methyl] ester Formula: C20H17N3O8 MolecularWeight: 427.36428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC(=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O8/c1-3-29-16-7-5-4-6-15(16)18-21-17(31-22-18)11-30-20(25)13-8-12(19(24)28-2)9-14(10-13)23(26)27/h4-10H,3,11H2,1-2H3