ethyl 5-tert-butyl-1-(3-methoxyphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-1-(3-methoxyphenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-5-hydroxy-1-(3-methoxybenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-[(3-methoxyphenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-5-hydroxy-1-(3-methoxybenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-m-anisoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H24N2O5 MolecularWeight: 348.39356

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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(=CC=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5/c1-6-25-16(22)14-11-18(23,17(2,3)4)20(19-14)15(21)12-8-7-9-13(10-12)24-5/h7-10,23H,6,11H2,1-5H3