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

Systemtic Name: (4-cyano-2-methoxy-phenyl) (E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (4-cyano-2-methoxy-phenyl) (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) (E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acrylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC2=C(C=C(C=C2)C#N)OC)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC2=C(C=C(C=C2)C#N)OC)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H18ClN3O3/c1-15-18(22(23)26(25-15)14-16-6-4-3-5-7-16)9-11-21(27)29-19-10-8-17(13-24)12-20(19)28-2/h3-12H,14H2,1-2H3/b11-9+