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

Systemtic Name: (E)-3-[5-(2-ethylphenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(2-ethylphenoxy)-1,3-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[5-(2-ethylphenoxy)-1,3-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(2-ethylphenoxy)-1,3-dimethyl-pyrazol-4-yl]acrylic acid Formula: C16H18N2O3 MolecularWeight: 286.32572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=C(C(=NN2C)C)C=CC(=O)O

Isomeric SMILES

CCC1=CC=CC=C1OC2=C(C(=NN2C)C)/C=C/C(=O)O

InChI

InChI=1S/C16H18N2O3/c1-4-12-7-5-6-8-14(12)21-16-13(9-10-15(19)20)11(2)17-18(16)3/h5-10H,4H2,1-3H3,(H,19,20)/b10-9+