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

Systemtic Name: O1-ethyl O3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[[3-(2-thienyl)-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-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl] ester IUPAC Name: 1-O-ethyl 3-O-[(3-thiophen-2-yl-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-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl] ester Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S/c1-2-25-16(21)10-6-11(8-12(7-10)20(23)24)17(22)26-9-14-18-15(19-27-14)13-4-3-5-28-13/h3-8H,2,9H2,1H3