(4-cyanophenyl)methyl 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furancarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-carboxylic acid (4-cyanobenzyl) ester Formula: C19H16BrN3O3 MolecularWeight: 414.25264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OCC3=CC=C(C=C3)C#N)C)Br

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OCC3=CC=C(C=C3)C#N)C)Br

InChI

InChI=1S/C19H16BrN3O3/c1-12-18(20)13(2)23(22-12)10-16-7-8-17(26-16)19(24)25-11-15-5-3-14(9-21)4-6-15/h3-8H,10-11H2,1-2H3