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

Systemtic Name: methyl (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-4-pyrazolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-(2-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acrylic acid methyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN(C=C2C=C(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2=NN(C=C2/C=C(\C#N)/C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C21H17N3O3/c1-26-19-11-7-6-10-18(19)20-16(12-15(13-22)21(25)27-2)14-24(23-20)17-8-4-3-5-9-17/h3-12,14H,1-2H3/b15-12+