3-[3-(2-bromoethyl)-5-methoxy-2-oxidanylidene-benzimidazol-1-yl]propanoate

Systemtic Name: 3-[3-(2-bromoethyl)-5-methoxy-2-oxidanylidene-benzimidazol-1-yl]propanoate Openeye Name: 3-[3-(2-bromoethyl)-5-methoxy-2-oxo-benzimidazol-1-yl]propanoate CAS Name: 3-[3-(2-bromoethyl)-5-methoxy-2-oxo-1-benzimidazolyl]propanoate IUPAC Name: 3-[3-(2-bromoethyl)-5-methoxy-2-oxobenzimidazol-1-yl]propanoate Traditional Name: 3-[3-(2-bromoethyl)-2-keto-5-methoxy-benzimidazol-1-yl]propionate Formula: C13H14BrN2O4- MolecularWeight: 342.16526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)N2CCBr)CCC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)N2CCBr)CCC(=O)[O-]

InChI

InChI=1S/C13H15BrN2O4/c1-20-9-2-3-10-11(8-9)16(7-5-14)13(19)15(10)6-4-12(17)18/h2-3,8H,4-7H2,1H3,(H,17,18)/p-1