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

Systemtic Name: cyanomethyl (E)-3-[5-chloranyl-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: cyanomethyl (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methyl-4-pyrazolyl]-2-propenoic acid cyanomethyl ester IUPAC Name: cyanomethyl (E)-3-[5-chloro-1-[(3-methoxyphenyl)methyl]-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-(5-chloro-1-m-anisyl-3-methyl-pyrazol-4-yl)acrylic acid cyanomethyl ester Formula: C17H16ClN3O3 MolecularWeight: 345.78024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O3/c1-12-15(6-7-16(22)24-9-8-19)17(18)21(20-12)11-13-4-3-5-14(10-13)23-2/h3-7,10H,9,11H2,1-2H3/b7-6+