tert-butyl 1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindole-2-carboxylate

Systemtic Name: tert-butyl 1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Openeye Name: tert-butyl 1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate CAS Name: 1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1,3-dioxo-3a,4,7,7a-tetrahydroisoindole-2-carboxylate Traditional Name: 1,3-diketo-3a,4,7,7a-tetrahydroisoindole-2-carboxylic acid tert-butyl ester Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=O)C2CC=CCC2C1=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=O)C2CC=CCC2C1=O

InChI

InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14-10(15)8-6-4-5-7-9(8)11(14)16/h4-5,8-9H,6-7H2,1-3H3