(4-pyrazol-1-ylphenyl)methyl (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H17N3O3/c1-26-20-9-5-16(6-10-20)13-18(14-22)21(25)27-15-17-3-7-19(8-4-17)24-12-2-11-23-24/h2-13H,15H2,1H3/b18-13+