tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 2-(3-oxoisoindolin-4-yl)pyrrole-1-carboxylate CAS Name: 2-(3-oxo-1,2-dihydroisoindol-4-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-oxo-1,2-dihydroisoindol-4-yl)pyrrole-1-carboxylate Traditional Name: 2-(3-ketoisoindolin-4-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=CC=C1C2=C3C(=CC=C2)CNC3=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C=CC=C1C2=C3C(=CC=C2)CNC3=O

InChI

InChI=1S/C17H18N2O3/c1-17(2,3)22-16(21)19-9-5-8-13(19)12-7-4-6-11-10-18-15(20)14(11)12/h4-9H,10H2,1-3H3,(H,18,20)