ethyl 5-tert-butyl-1-[2-(4-nitrophenyl)ethanoyl]-5-oxidanyl-4H-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-tert-butyl-1-[2-(4-nitrophenyl)ethanoyl]-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-5-hydroxy-1-[2-(4-nitrophenyl)acetyl]-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-[2-(4-nitrophenyl)-1-oxoethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-5-hydroxy-1-[2-(4-nitrophenyl)acetyl]-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-[2-(4-nitrophenyl)acetyl]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NN(C(C1)(C(C)(C)C)O)C(=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6/c1-5-27-16(23)14-11-18(24,17(2,3)4)20(19-14)15(22)10-12-6-8-13(9-7-12)21(25)26/h6-9,24H,5,10-11H2,1-4H3