(3,5,5-trimethyl-1-oxidanidyl-4H-pyrazol-1-ium-3-yl) 4-[acetyloxy(ethanoyl)amino]benzoate

Systemtic Name: (3,5,5-trimethyl-1-oxidanidyl-4H-pyrazol-1-ium-3-yl) 4-[acetyloxy(ethanoyl)amino]benzoate Openeye Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-[acetoxy(acetyl)amino]benzoate CAS Name: 4-[acetyl(acetyloxy)amino]benzoic acid (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) ester IUPAC Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-[acetyl(acetyloxy)amino]benzoate Traditional Name: 4-[acetoxy(acetyl)amino]benzoic acid (3,5,5-trimethyl-1-oxido-1-pyrazolin-1-ium-3-yl) ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)C(=O)OC2(CC([N+](=N2)[O-])(C)C)C)OC(=O)C

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)C(=O)OC2(CC([N+](=N2)[O-])(C)C)C)OC(=O)C

InChI

InChI=1S/C17H21N3O6/c1-11(21)19(26-12(2)22)14-8-6-13(7-9-14)15(23)25-17(5)10-16(3,4)20(24)18-17/h6-9H,10H2,1-5H3