butyl (E)-3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-cyano-prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CN(N=C1)CC2=CC=CC=C2Cl)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CN(N=C1)CC2=CC=CC=C2Cl)/C#N

InChI

InChI=1S/C18H18ClN3O2/c1-2-3-8-24-18(23)16(10-20)9-14-11-21-22(12-14)13-15-6-4-5-7-17(15)19/h4-7,9,11-12H,2-3,8,13H2,1H3/b16-9+