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

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-bromanylbenzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C20H18BrN3O4 MolecularWeight: 444.27862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O4/c1-20(2,3)17-12-18(28-19(25)13-4-6-14(21)7-5-13)23(22-17)15-8-10-16(11-9-15)24(26)27/h4-12H,1-3H3