2-[5,6-bis(chloranyl)-2-(phenylcarbonyl)-1H-indol-3-yl]propanedioic acid

Systemtic Name: 2-[5,6-bis(chloranyl)-2-(phenylcarbonyl)-1H-indol-3-yl]propanedioic acid Openeye Name: 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)propanedioic acid CAS Name: 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)propanedioic acid IUPAC Name: 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)propanedioic acid Traditional Name: 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)malonic acid Formula: C18H11Cl2NO5 MolecularWeight: 392.18964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(C=C3N2)Cl)Cl)C(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C3=CC(=C(C=C3N2)Cl)Cl)C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H11Cl2NO5/c19-10-6-9-12(7-11(10)20)21-15(13(9)14(17(23)24)18(25)26)16(22)8-4-2-1-3-5-8/h1-7,14,21H,(H,23,24)(H,25,26)