prop-2-enyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)-2-cyano-acrylic acid allyl ester Formula: C18H16ClN3O2 MolecularWeight: 341.79154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)OCC=C)Cl)CC2=CC=CC=C2

InChI

InChI=1S/C18H16ClN3O2/c1-3-9-24-18(23)15(11-20)10-16-13(2)21-22(17(16)19)12-14-7-5-4-6-8-14/h3-8,10H,1,9,12H2,2H3/b15-10+