tert-butyl 3-(4-aminophenyl)-3-ethanoyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-(4-aminophenyl)-3-ethanoyl-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-acetyl-3-(4-aminophenyl)-1-hydroxy-2,5-dioxo-pyrrolidin-1-ium-1-carboxylate CAS Name: 3-acetyl-3-(4-aminophenyl)-1-hydroxy-2,5-dioxo-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-acetyl-3-(4-aminophenyl)-1-hydroxy-2,5-dioxopyrrolidin-1-ium-1-carboxylate Traditional Name: 3-acetyl-3-(4-aminophenyl)-1-hydroxy-2,5-diketo-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C17H21N2O6+ MolecularWeight: 349.35844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N2O6/c1-10(20)17(11-5-7-12(18)8-6-11)9-13(21)19(24,14(17)22)15(23)25-16(2,3)4/h5-8,24H,9,18H2,1-4H3/q+1