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

Systemtic Name: (E)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3,4-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3,4-dimethylphenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)C=CC(=O)O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C)/C=C/C(=O)O)C)C

InChI

InChI=1S/C16H18N2O2/c1-10-5-6-14(9-11(10)2)18-13(4)15(12(3)17-18)7-8-16(19)20/h5-9H,1-4H3,(H,19,20)/b8-7+