ethyl 3-tert-butyl-3-oxidanyl-2-pyridin-4-ylcarbonyl-1H-pyrazole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(N(N1)C(=O)C2=CC=NC=C2)(C(C)(C)C)O

Isomeric SMILES

CCOC(=O)C1=CC(N(N1)C(=O)C2=CC=NC=C2)(C(C)(C)C)O

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/h6-10,18,22H,5H2,1-4H3