O1-[4,5-bis(chloranyl)-1H-indol-3-yl] O3-ethyl 2-ethyl-2-(phenylcarbonyl)propanedioate

Systemtic Name: O1-[4,5-bis(chloranyl)-1H-indol-3-yl] O3-ethyl 2-ethyl-2-(phenylcarbonyl)propanedioate Openeye Name: O1-(4,5-dichloro-1H-indol-3-yl) O3-ethyl 2-benzoyl-2-ethyl-propanedioate CAS Name: 2-benzoyl-2-ethylpropanedioic acid O1-(4,5-dichloro-1H-indol-3-yl) ester O3-ethyl ester IUPAC Name: 1-O-(4,5-dichloro-1H-indol-3-yl) 3-O-ethyl 2-benzoyl-2-ethylpropanedioate Traditional Name: 2-benzoyl-2-ethyl-malonic acid O1-(4,5-dichloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C22H19Cl2NO5 MolecularWeight: 448.29596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)OC2=CNC3=C2C(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(C(=O)C1=CC=CC=C1)(C(=O)OCC)C(=O)OC2=CNC3=C2C(=C(C=C3)Cl)Cl

InChI

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