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

Systemtic Name: methyl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C16H14ClN3O2 MolecularWeight: 315.75426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O2/c1-11-14(8-13(9-18)16(21)22-2)15(17)20(19-11)10-12-6-4-3-5-7-12/h3-8H,10H2,1-2H3/b13-8+