tert-butyl N-(3-oxidanylidenepyrazolidin-4-yl)carbamate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl N-(3-oxidanylidenepyrazolidin-4-yl)carbamate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl N-(3-oxopyrazolidin-4-yl)carbamate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; N-(3-oxo-4-pyrazolidinyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-oxopyrazolidin-4-yl)carbamate; 4-methylbenzenesulfonic acid Traditional Name: N-(3-ketopyrazolidin-4-yl)carbamic acid tert-butyl ester; tosylic acid Formula: C15H23N3O6S MolecularWeight: 373.42462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CNNC1=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C)OC(=O)NC1CNNC1=O

InChI

InChI=1S/C8H15N3O3.C7H8O3S/c1-8(2,3)14-7(13)10-5-4-9-11-6(5)12;1-6-2-4-7(5-3-6)11(8,9)10/h5,9H,4H2,1-3H3,(H,10,13)(H,11,12);2-5H,1H3,(H,8,9,10)