[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 3,3-dimethylbutanoate

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 3,3-dimethylbutanoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-12(2)15-10-16(25-17(22)11-18(3,4)5)20(19-15)13-6-8-14(9-7-13)21(23)24/h6-10,12H,11H2,1-5H3