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

Systemtic Name: methyl (E)-3-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]-2-cyano-acrylic acid methyl ester Formula: C16H13ClFN3O2 MolecularWeight: 333.744723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)OC)Cl)CC2=CC=C(C=C2)F

Isomeric SMILES

CC1=NN(C(=C1/C=C(\C#N)/C(=O)OC)Cl)CC2=CC=C(C=C2)F

InChI

InChI=1S/C16H13ClFN3O2/c1-10-14(7-12(8-19)16(22)23-2)15(17)21(20-10)9-11-3-5-13(18)6-4-11/h3-7H,9H2,1-2H3/b12-7+