[(E)-3-phenylprop-2-enyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(E)-3-phenylprop-2-enyl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(E)-cinnamyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [(E)-cinnamyl] ester Formula: C17H17ClN2O2 MolecularWeight: 316.78208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC=CC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC/C=C/C2=CC=CC=C2)Cl)C

InChI

InChI=1S/C17H17ClN2O2/c1-13-15(17(18)20(2)19-13)10-11-16(21)22-12-6-9-14-7-4-3-5-8-14/h3-11H,12H2,1-2H3/b9-6+,11-10+