dimethyl 2-(5-chloranyl-3-cyano-1-oxidanyl-indol-2-yl)propanedioate

Systemtic Name: dimethyl 2-(5-chloranyl-3-cyano-1-oxidanyl-indol-2-yl)propanedioate Openeye Name: dimethyl 2-(5-chloro-3-cyano-1-hydroxy-indol-2-yl)propanedioate CAS Name: 2-(5-chloro-3-cyano-1-hydroxy-2-indolyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-chloro-3-cyano-1-hydroxyindol-2-yl)propanedioate Traditional Name: 2-(5-chloro-3-cyano-1-hydroxy-indol-2-yl)malonic acid dimethyl ester Formula: C14H11ClN2O5 MolecularWeight: 322.70054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN2O5/c1-21-13(18)11(14(19)22-2)12-9(6-16)8-5-7(15)3-4-10(8)17(12)20/h3-5,11,20H,1-2H3