ethyl (5R)-5-tert-butyl-5-oxidanyl-1-pyridin-4-ylcarbonyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl (5R)-5-tert-butyl-5-oxidanyl-1-pyridin-4-ylcarbonyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl (5R)-5-tert-butyl-5-hydroxy-1-(pyridine-4-carbonyl)-4H-pyrazole-3-carboxylate CAS Name: (5R)-5-tert-butyl-5-hydroxy-1-[oxo(pyridin-4-yl)methyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (5R)-5-tert-butyl-5-hydroxy-1-(pyridine-4-carbonyl)-4H-pyrazole-3-carboxylate Traditional Name: (5R)-5-tert-butyl-5-hydroxy-1-isonicotinoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C1=NN([C@@](C1)(C(C)(C)C)O)C(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H21N3O4/c1-5-23-14(21)12-10-16(22,15(2,3)4)19(18-12)13(20)11-6-8-17-9-7-11/h6-9,22H,5,10H2,1-4H3/t16-/m1/s1