[2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3-bromanylbenzoate

Systemtic Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(2,4-dimethylphenyl)-5-ethyl-3-pyrazolyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-5-ethylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(2,4-dimethylphenyl)-5-ethyl-pyrazol-3-yl] ester Formula: C20H19BrN2O2 MolecularWeight: 399.28106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)Br)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)Br)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C20H19BrN2O2/c1-4-17-12-19(25-20(24)15-6-5-7-16(21)11-15)23(22-17)18-9-8-13(2)10-14(18)3/h5-12H,4H2,1-3H3