3-[3-(2-carboxyethyl)-4,6-bis(chloranyl)-2-oxidanylidene-benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(2-carboxyethyl)-4,6-bis(chloranyl)-2-oxidanylidene-benzimidazol-1-yl]propanoic acid Openeye Name: 3-[3-(2-carboxyethyl)-4,6-dichloro-2-oxo-benzimidazol-1-yl]propanoic acid CAS Name: 3-[3-(2-carboxyethyl)-4,6-dichloro-2-oxo-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[3-(2-carboxyethyl)-4,6-dichloro-2-oxobenzimidazol-1-yl]propanoic acid Traditional Name: 3-[3-(2-carboxyethyl)-4,6-dichloro-2-keto-benzimidazol-1-yl]propionic acid Formula: C13H12Cl2N2O5 MolecularWeight: 347.15078

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1Cl)N(C(=O)N2CCC(=O)O)CCC(=O)O)Cl

Isomeric SMILES

C1=C(C=C2C(=C1Cl)N(C(=O)N2CCC(=O)O)CCC(=O)O)Cl

InChI

InChI=1S/C13H12Cl2N2O5/c14-7-5-8(15)12-9(6-7)16(3-1-10(18)19)13(22)17(12)4-2-11(20)21/h5-6H,1-4H2,(H,18,19)(H,20,21)