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

Systemtic Name: propan-2-yl (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-2-cyano-acrylic acid isopropyl ester Formula: C17H16ClN3O2 MolecularWeight: 329.78084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O2/c1-11(2)23-17(22)13(10-19)9-15-12(3)20-21(16(15)18)14-7-5-4-6-8-14/h4-9,11H,1-3H3/b13-9+