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

Systemtic Name: methyl (E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-(3-bromophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C20H14BrN3O2 MolecularWeight: 408.24806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O2/c1-26-20(25)15(12-22)10-16-13-24(18-8-3-2-4-9-18)23-19(16)14-6-5-7-17(21)11-14/h2-11,13H,1H3/b15-10+