(4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H16N2O4 MolecularWeight: 348.35204

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)OCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)OCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C20H16N2O4/c23-20(9-5-15-4-8-18-19(12-15)26-14-25-18)24-13-16-2-6-17(7-3-16)22-11-1-10-21-22/h1-12H,13-14H2/b9-5+