prop-2-enyl (E)-3-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-[5-chloranyl-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-[5-chloro-3-methyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-3-methyl-1-(1-naphthylmethyl)pyrazol-4-yl]-2-cyano-acrylic acid allyl ester Formula: C22H18ClN3O2 MolecularWeight: 391.85022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)OCC=C)Cl)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)OCC=C)Cl)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H18ClN3O2/c1-3-11-28-22(27)18(13-24)12-20-15(2)25-26(21(20)23)14-17-9-6-8-16-7-4-5-10-19(16)17/h3-10,12H,1,11,14H2,2H3/b18-12+