3-[4-methanoyl-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-methanoyl-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-formyl-3-(p-tolyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-formyl-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-formyl-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-formyl-3-(p-tolyl)pyrazol-1-yl]propionic acid Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C=O)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C=O)CCC(=O)O

InChI

InChI=1S/C14H14N2O3/c1-10-2-4-11(5-3-10)14-12(9-17)8-16(15-14)7-6-13(18)19/h2-5,8-9H,6-7H2,1H3,(H,18,19)