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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (2-benzamido-2-oxo-ethyl) (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 (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) (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-benzamido-2-keto-ethyl) ester Formula: C22H17ClFN3O4 MolecularWeight: 441.839483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC(=O)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(=O)C2=CC=CC=C2)Cl)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H17ClFN3O4/c1-14-18(21(23)27(26-14)17-9-7-16(24)8-10-17)11-12-20(29)31-13-19(28)25-22(30)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,25,28,30)/b12-11+