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

Systemtic Name: 3-oxidanylidenebutan-2-yl (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (1-methyl-2-oxo-propyl) (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-2-propenoic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]acrylic acid (2-keto-1-methyl-propyl) ester Formula: C17H16ClFN2O3 MolecularWeight: 350.771943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)C)Cl)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H16ClFN2O3/c1-10-15(8-9-16(23)24-12(3)11(2)22)17(18)21(20-10)14-6-4-13(19)5-7-14/h4-9,12H,1-3H3/b9-8+