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

Systemtic Name: (E)-3-[1-(3-chloranyl-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid Openeye Name: (E)-3-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]prop-2-enoic acid CAS Name: (E)-3-[1-(3-chloro-4-methylphenyl)-3,5-dimethyl-4-pyrazolyl]-2-propenoic acid IUPAC Name: (E)-3-[1-(3-chloro-4-methylphenyl)-3,5-dimethylpyrazol-4-yl]prop-2-enoic acid Traditional Name: (E)-3-[1-(3-chloro-4-methyl-phenyl)-3,5-dimethyl-pyrazol-4-yl]acrylic acid Formula: C15H15ClN2O2 MolecularWeight: 290.7448

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O2/c1-9-4-5-12(8-14(9)16)18-11(3)13(10(2)17-18)6-7-15(19)20/h4-8H,1-3H3,(H,19,20)/b7-6+