[2-(1-tert-butylpyrazol-4-yl)carbonylphenyl] 3-bromanylbenzoate

Systemtic Name: [2-(1-tert-butylpyrazol-4-yl)carbonylphenyl] 3-bromanylbenzoate Openeye Name: [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-[(1-tert-butyl-4-pyrazolyl)-oxomethyl]phenyl] ester IUPAC Name: [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(1-tert-butylpyrazole-4-carbonyl)phenyl] ester Formula: C21H19BrN2O3 MolecularWeight: 427.29116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C=N1)C(=O)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)N1C=C(C=N1)C(=O)C2=CC=CC=C2OC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H19BrN2O3/c1-21(2,3)24-13-15(12-23-24)19(25)17-9-4-5-10-18(17)27-20(26)14-7-6-8-16(22)11-14/h4-13H,1-3H3