[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O6/c1-10(2)11-3-5-12(6-4-11)16-18-14(26-19-16)9-24-17(21)13-7-8-15(25-13)20(22)23/h3-8,10H,9H2,1-2H3