[(1R)-1-cyanoethyl] (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-[5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolyl]-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-isobutyl-3-methyl-pyrazol-4-yl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C14H18ClN3O2 MolecularWeight: 295.76462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O[C@H](C)C#N)Cl)CC(C)C

InChI

InChI=1S/C14H18ClN3O2/c1-9(2)8-18-14(15)12(11(4)17-18)5-6-13(19)20-10(3)7-16/h5-6,9-10H,8H2,1-4H3/b6-5+/t10-/m1/s1