[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl] ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O4/c1-20(2,3)17-12-18(23(22-17)15-9-7-14(21)8-10-15)28-19(25)13-5-4-6-16(11-13)24(26)27/h4-12H,1-3H3