(3-cyanophenyl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (3-cyanophenyl)methyl (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (3-cyanophenyl)methyl (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 (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl (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 (3-cyanobenzyl) ester Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=CC=CC(=C2)C#N)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=CC=CC(=C2)C#N)Cl)C

InChI

InChI=1S/C16H14ClN3O2/c1-11-14(16(17)20(2)19-11)6-7-15(21)22-10-13-5-3-4-12(8-13)9-18/h3-8H,10H2,1-2H3/b7-6+