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

Systemtic Name: 1,3-benzoxazol-2-ylmethyl (E)-3-[5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: 1,3-benzoxazol-2-ylmethyl (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 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl (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 1,3-benzoxazol-2-ylmethyl ester Formula: C21H15ClFN3O3 MolecularWeight: 411.813503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC2=NC3=CC=CC=C3O2)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC2=NC3=CC=CC=C3O2)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H15ClFN3O3/c1-13-16(21(22)26(25-13)15-8-6-14(23)7-9-15)10-11-20(27)28-12-19-24-17-4-2-3-5-18(17)29-19/h2-11H,12H2,1H3/b11-10+