2-oxidanylidenepropyl (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: 2-oxidanylidenepropyl (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: acetonyl (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl (E)-3-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid acetonyl ester Formula: C21H17BrN2O3 MolecularWeight: 425.27528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H17BrN2O3/c1-15(25)14-27-20(26)12-9-17-13-24(19-5-3-2-4-6-19)23-21(17)16-7-10-18(22)11-8-16/h2-13H,14H2,1H3/b12-9+