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

Systemtic Name: ethyl 5-tert-butyl-1-(4-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: ethyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate CAS Name: 5-tert-butyl-5-hydroxy-1-[(4-nitrophenyl)-oxomethyl]-4H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-4H-pyrazole-3-carboxylate Traditional Name: 5-tert-butyl-5-hydroxy-1-(4-nitrobenzoyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H21N3O6 MolecularWeight: 363.36514

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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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-5-26-15(22)13-10-17(23,16(2,3)4)19(18-13)14(21)11-6-8-12(9-7-11)20(24)25/h6-9,23H,5,10H2,1-4H3