(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-nitrobenzoate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-nitrobenzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C14H9N3O5S MolecularWeight: 331.30336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N3O5S/c18-14(9-3-1-4-10(7-9)17(19)20)21-8-12-15-13(16-22-12)11-5-2-6-23-11/h1-7H,8H2