ethyl 5-ethyl-2-(2-methylpropanoyl)-3-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-(2-methylpropanoyl)-3-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-ethyl-3-hydroxy-2-(2-methylpropanoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-ethyl-3-hydroxy-2-(2-methyl-1-oxopropyl)-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-3-hydroxy-2-(2-methylpropanoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-ethyl-3-hydroxy-2-isobutyryl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C(C)C

Isomeric SMILES

CCC1=NN(C(C1)(C(=O)OCC)O)C(=O)C(C)C

InChI

InChI=1S/C12H20N2O4/c1-5-9-7-12(17,11(16)18-6-2)14(13-9)10(15)8(3)4/h8,17H,5-7H2,1-4H3