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

Systemtic Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC3=C(C=C2)OCO3)C)C=CC(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC3=C(C=C2)OCO3)C)/C=C/C(=O)O

InChI

InChI=1S/C15H14N2O4/c1-9-12(4-6-15(18)19)10(2)17(16-9)11-3-5-13-14(7-11)21-8-20-13/h3-7H,8H2,1-2H3,(H,18,19)/b6-4+