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

Systemtic Name: diethyl 2-[5,6-bis(chloranyl)-2-(phenylcarbonyl)-1H-indol-3-yl]propanedioate Openeye Name: diethyl 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)propanedioate CAS Name: 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)propanedioate Traditional Name: 2-(2-benzoyl-5,6-dichloro-1H-indol-3-yl)malonic acid diethyl ester Formula: C22H19Cl2NO5 MolecularWeight: 448.29596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(NC2=CC(=C(C=C21)Cl)Cl)C(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=C(NC2=CC(=C(C=C21)Cl)Cl)C(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H19Cl2NO5/c1-3-29-21(27)18(22(28)30-4-2)17-13-10-14(23)15(24)11-16(13)25-19(17)20(26)12-8-6-5-7-9-12/h5-11,18,25H,3-4H2,1-2H3