O3-tert-butyl O1-methyl 2-(5-chloranyl-3-cyano-1-oxidanyl-indol-2-yl)propanedioate

Systemtic Name: O3-tert-butyl O1-methyl 2-(5-chloranyl-3-cyano-1-oxidanyl-indol-2-yl)propanedioate Openeye Name: O1-tert-butyl O3-methyl 2-(5-chloro-3-cyano-1-hydroxy-indol-2-yl)propanedioate CAS Name: 2-(5-chloro-3-cyano-1-hydroxy-2-indolyl)propanedioic acid O3-tert-butyl ester O1-methyl ester IUPAC Name: 3-O-tert-butyl 1-O-methyl 2-(5-chloro-3-cyano-1-hydroxyindol-2-yl)propanedioate Traditional Name: 2-(5-chloro-3-cyano-1-hydroxy-indol-2-yl)malonic acid O1-tert-butyl ester O3-methyl ester Formula: C17H17ClN2O5 MolecularWeight: 364.78028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=C(C2=C(N1O)C=CC(=C2)Cl)C#N)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=C(C2=C(N1O)C=CC(=C2)Cl)C#N)C(=O)OC

InChI

InChI=1S/C17H17ClN2O5/c1-17(2,3)25-16(22)13(15(21)24-4)14-11(8-19)10-7-9(18)5-6-12(10)20(14)23/h5-7,13,23H,1-4H3