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

Systemtic Name: O1-ethyl O3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl] ester IUPAC Name: 1-O-ethyl 3-O-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]methyl] ester Formula: C20H17N3O7 MolecularWeight: 411.36488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7/c1-3-28-19(24)14-8-15(10-16(9-14)23(26)27)20(25)29-11-17-21-18(22-30-17)13-6-4-12(2)5-7-13/h4-10H,3,11H2,1-2H3