[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [5-(2-furanyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [5-(2-furyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C14H8BrN3O6 MolecularWeight: 394.13382

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C2=NN=C(O2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

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