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

Systemtic Name: propan-2-yl (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2/c1-12(2)24-18(23)15(10-20)9-16-13(3)21-22(17(16)19)11-14-7-5-4-6-8-14/h4-9,12H,11H2,1-3H3/b15-9+