(E)-3-[5-(2-chloranyl-5-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-(2-chloranyl-5-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(2-chloro-5-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(2-chloro-5-methylphenoxy)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-chloro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(2-chloro-5-methyl-phenoxy)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C15H15ClN2O3 MolecularWeight: 306.7442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC2=C(C(=NN2C)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC2=C(C(=NN2C)C)/C=C/C(=O)O

InChI

InChI=1S/C15H15ClN2O3/c1-9-4-6-12(16)13(8-9)21-15-11(5-7-14(19)20)10(2)17-18(15)3/h4-8H,1-3H3,(H,19,20)/b7-5+