methyl (2E)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-butanoate

Systemtic Name: methyl (2E)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylidene]-3-oxidanylidene-butanoate Openeye Name: methyl (2E)-2-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methylene]-3-oxo-butanoate CAS Name: (2E)-2-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methylidene]-3-oxobutanoic acid methyl ester IUPAC Name: methyl (2E)-2-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]acrylic acid methyl ester Formula: C21H17BrN2O3 MolecularWeight: 425.27528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17BrN2O3/c1-14(25)19(21(26)27-2)12-16-13-24(18-6-4-3-5-7-18)23-20(16)15-8-10-17(22)11-9-15/h3-13H,1-2H3/b19-12+