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

Systemtic Name: cyanomethyl (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: cyanomethyl (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid cyanomethyl ester Formula: C15H12ClN3O2 MolecularWeight: 301.72768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN3O2/c1-11-13(7-8-14(20)21-10-9-17)15(16)19(18-11)12-5-3-2-4-6-12/h2-8H,10H2,1H3/b8-7+