ethyl (E)-3-[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: ethyl (E)-3-[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-4-pyrazolyl]-2-cyano-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]-2-cyano-acrylic acid ethyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(N=C1C)C2=C(C=CC(=C2)C)C)Cl)/C#N

InChI

InChI=1S/C18H18ClN3O2/c1-5-24-18(23)14(10-20)9-15-13(4)21-22(17(15)19)16-8-11(2)6-7-12(16)3/h6-9H,5H2,1-4H3/b14-9+