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

Systemtic Name: methyl 5-tert-butyl-1-(4-nitrophenyl)carbonyl-5-oxidanyl-4H-pyrazole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)O

Isomeric SMILES

CC(C)(C)C1(CC(=NN1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)O

InChI

InChI=1S/C16H19N3O6/c1-15(2,3)16(22)9-12(14(21)25-4)17-18(16)13(20)10-5-7-11(8-6-10)19(23)24/h5-8,22H,9H2,1-4H3