ethyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: 3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: 3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C21H16BrN3O2 MolecularWeight: 422.27464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16BrN3O2/c1-2-27-21(26)16(13-23)12-17-14-25(19-6-4-3-5-7-19)24-20(17)15-8-10-18(22)11-9-15/h3-12,14H,2H2,1H3