(phenylmethyl) 3-tert-butyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 3-tert-butyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 3-tert-butyl-1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-carboxylate CAS Name: 3-tert-butyl-1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-tert-butyl-1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-carboxylate Traditional Name: 3-tert-butyl-1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C16H20NO5+ MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(=O)[N+](C1=O)(C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C1CC(=O)[N+](C1=O)(C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C16H20NO5/c1-16(2,3)12-9-13(18)17(21,14(12)19)15(20)22-10-11-7-5-4-6-8-11/h4-8,12,21H,9-10H2,1-3H3/q+1