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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate CAS Name: 5-nitro-2-furancarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 5-nitrofuran-2-carboxylate Traditional Name: 5-nitrofuran-2-carboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C14H8BrN3O6 MolecularWeight: 394.13382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H8BrN3O6/c15-9-3-1-2-8(6-9)13-16-11(24-17-13)7-22-14(19)10-4-5-12(23-10)18(20)21/h1-6H,7H2