(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(4-bromophenyl)ethanoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(4-bromophenyl)ethanoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 2-(4-bromophenyl)acetate CAS Name: 2-(4-bromophenyl)acetic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 2-(4-bromophenyl)acetate Traditional Name: 2-(4-bromophenyl)acetic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C20H16BrN3O2 MolecularWeight: 410.26394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)CC2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C20H16BrN3O2/c1-14-18(12-22)19(24(23-14)17-5-3-2-4-6-17)13-26-20(25)11-15-7-9-16(21)10-8-15/h2-10H,11,13H2,1H3