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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NOC(=N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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