tert-butyl 5-oxidanyl-2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate

Systemtic Name: tert-butyl 5-oxidanyl-2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Openeye Name: tert-butyl 5-hydroxy-2-(3-oxoisoindolin-4-yl)indole-1-carboxylate CAS Name: 5-hydroxy-2-(3-oxo-1,2-dihydroisoindol-4-yl)-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-hydroxy-2-(3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate Traditional Name: 5-hydroxy-2-(3-ketoisoindolin-4-yl)indole-1-carboxylic acid tert-butyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)O)C=C1C3=C4C(=CC=C3)CNC4=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)O)C=C1C3=C4C(=CC=C3)CNC4=O

InChI

InChI=1S/C21H20N2O4/c1-21(2,3)27-20(26)23-16-8-7-14(24)9-13(16)10-17(23)15-6-4-5-12-11-22-19(25)18(12)15/h4-10,24H,11H2,1-3H3,(H,22,25)