1-bromanyl-3-nitro-benzene; 3-tert-butyl-1,3,4-oxadiazol-2-one

Systemtic Name: 1-bromanyl-3-nitro-benzene; 3-tert-butyl-1,3,4-oxadiazol-2-one Openeye Name: 1-bromo-3-nitro-benzene; 3-tert-butyl-1,3,4-oxadiazol-2-one CAS Name: 1-bromo-3-nitrobenzene; 3-tert-butyl-1,3,4-oxadiazol-2-one IUPAC Name: 1-bromo-3-nitrobenzene; 3-tert-butyl-1,3,4-oxadiazol-2-one Traditional Name: 1-bromo-3-nitro-benzene; 3-tert-butyl-1,3,4-oxadiazol-2-one Formula: C12H14BrN3O4 MolecularWeight: 344.16126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)OC=N1.C1=CC(=CC(=C1)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1C(=O)OC=N1.C1=CC(=CC(=C1)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H4BrNO2.C6H10N2O2/c7-5-2-1-3-6(4-5)8(9)10;1-6(2,3)8-5(9)10-4-7-8/h1-4H;4H,1-3H3