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

Systemtic Name: (E)-3-[1-(2,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(2,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(2,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(2,4-dimethoxyphenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=C(C=C2)OC)OC)C)C=CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C=C2)OC)OC)C)/C=C/C(=O)O

InChI

InChI=1S/C16H18N2O4/c1-10-13(6-8-16(19)20)11(2)18(17-10)14-7-5-12(21-3)9-15(14)22-4/h5-9H,1-4H3,(H,19,20)/b8-6+