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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(N=C1C)CC2=CC=CC=C2Cl)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(N=C1C)CC2=CC=CC=C2Cl)C)/C#N

InChI

InChI=1S/C18H18ClN3O2/c1-4-24-18(23)15(10-20)9-16-12(2)21-22(13(16)3)11-14-7-5-6-8-17(14)19/h5-9H,4,11H2,1-3H3/b15-9+