(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H11N3O6S MolecularWeight: 397.36144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N3O6S/c22-18(25-9-16-19-17(20-27-16)12-7-8-28-10-12)15-6-5-14(26-15)11-1-3-13(4-2-11)21(23)24/h1-8,10H,9H2