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

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] butanoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] butanoate CAS Name: butanoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] butanoate Traditional Name: butyric acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C16H19N3O4 MolecularWeight: 317.33976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCCC(=O)OC1=CC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C16H19N3O4/c1-4-5-16(20)23-15-10-14(11(2)3)17-18(15)12-6-8-13(9-7-12)19(21)22/h6-11H,4-5H2,1-3H3