(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromanyl-3-nitro-benzoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C16H10BrN3O5 MolecularWeight: 404.1717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O5/c17-12-7-6-11(8-13(12)20(22)23)16(21)24-9-14-18-15(19-25-14)10-4-2-1-3-5-10/h1-8H,9H2