tert-butyl 5-bromanyl-2-oxidanylidene-3H-benzimidazole-1-carboxylate

Systemtic Name: tert-butyl 5-bromanyl-2-oxidanylidene-3H-benzimidazole-1-carboxylate Openeye Name: tert-butyl 5-bromo-2-oxo-3H-benzimidazole-1-carboxylate CAS Name: 5-bromo-2-oxo-3H-benzimidazole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-bromo-2-oxo-3H-benzimidazole-1-carboxylate Traditional Name: 5-bromo-2-keto-3H-benzimidazole-1-carboxylic acid tert-butyl ester Formula: C12H13BrN2O3 MolecularWeight: 313.14722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)NC1=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)Br)NC1=O

InChI

InChI=1S/C12H13BrN2O3/c1-12(2,3)18-11(17)15-9-5-4-7(13)6-8(9)14-10(15)16/h4-6H,1-3H3,(H,14,16)