2-[2-methoxy-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoate

Systemtic Name: 2-[2-methoxy-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoate Openeye Name: 2-[2-methoxy-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetate CAS Name: 2-[2-methoxy-4-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]phenoxy]acetate IUPAC Name: 2-[2-methoxy-4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetate Traditional Name: 2-[2-methoxy-4-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]phenoxy]acetate Formula: C21H17N2O5- MolecularWeight: 377.37008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)OCC(=O)[O-]

InChI

InChI=1S/C21H18N2O5/c1-27-20-11-16(8-10-19(20)28-14-21(25)26)18(24)9-7-15-12-22-23(13-15)17-5-3-2-4-6-17/h2-13H,14H2,1H3,(H,25,26)/p-1/b9-7+