2-[4-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoyl]phenoxy]acetate CAS Name: 2-[4-[(E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-1-oxoprop-2-enyl]phenoxy]acetate IUPAC Name: 2-[4-[(E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetate Traditional Name: 2-[4-[(E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acryloyl]phenoxy]acetate Formula: C21H16ClN2O4- MolecularWeight: 395.81574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=C(C=C2)OCC(=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)OCC(=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O4/c1-14-18(21(22)24(23-14)16-5-3-2-4-6-16)11-12-19(25)15-7-9-17(10-8-15)28-13-20(26)27/h2-12H,13H2,1H3,(H,26,27)/p-1/b12-11+