methyl 5-tert-butyl-1-(4-dimethylaminophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-1-(4-dimethylaminophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 5-tert-butyl-1-[4-(dimethylamino)benzoyl]-5-hydroxy-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-1-[(4-dimethylaminophenyl)-oxomethyl]-5-hydroxy-4H-pyrazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-1-[4-(dimethylamino)benzoyl]-5-hydroxy-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-1-[4-(dimethylamino)benzoyl]-5-hydroxy-2-pyrazoline-3-carboxylic acid methyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)N(C)C)C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)N(C)C)C(=O)OC)O

InChI

InChI=1S/C18H25N3O4/c1-17(2,3)18(24)11-14(16(23)25-6)19-21(18)15(22)12-7-9-13(10-8-12)20(4)5/h7-10,24H,11H2,1-6H3