3-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)O)Cl

InChI

InChI=1S/C15H15ClN2O2/c1-10-3-5-12(6-4-10)9-18-15(16)13(11(2)17-18)7-8-14(19)20/h3-8H,9H2,1-2H3,(H,19,20)