2-[5-(2-carboxyethylcarbamoyl)-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-benzimidazol-4-yl]ethanoate

Systemtic Name: 2-[5-(2-carboxyethylcarbamoyl)-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-1H-benzimidazol-4-yl]ethanoate Openeye Name: 2-[5-(2-carboxyethylcarbamoyl)-2-(2-oxido-2-oxo-ethyl)-1H-benzimidazol-4-yl]acetate CAS Name: 2-[5-[(2-carboxyethylamino)-oxomethyl]-2-(2-oxido-2-oxoethyl)-1H-benzimidazol-4-yl]acetate IUPAC Name: 2-[5-(2-carboxyethylcarbamoyl)-2-(2-oxido-2-oxoethyl)-1H-benzimidazol-4-yl]acetate Traditional Name: 2-[5-(2-carboxyethylcarbamoyl)-2-(2-keto-2-oxido-ethyl)-1H-benzimidazol-4-yl]acetate Formula: C15H13N3O7-2 MolecularWeight: 347.27962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1C(=O)NCCC(=O)O)CC(=O)[O-])N=C(N2)CC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1C(=O)NCCC(=O)O)CC(=O)[O-])N=C(N2)CC(=O)[O-]

InChI

InChI=1S/C15H15N3O7/c19-11(20)3-4-16-15(25)7-1-2-9-14(8(7)5-12(21)22)18-10(17-9)6-13(23)24/h1-2H,3-6H2,(H,16,25)(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-2