[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2-fluoranylbenzoate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2-fluoranylbenzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [5-tert-butyl-2-(4-nitrophenyl)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=C2F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)OC(=O)C2=CC=CC=C2F)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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