3-[3-(4-methylphenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-methylphenyl)-4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-hydroxy-3-oxo-prop-1-enyl)-3-(p-tolyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-(4-methylphenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-(4-methylphenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-hydroxy-3-keto-prop-1-enyl)-3-(p-tolyl)pyrazol-1-yl]propionic acid Formula: C16H16N2O4 MolecularWeight: 300.30924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O4/c1-11-2-4-12(5-3-11)16-13(6-7-14(19)20)10-18(17-16)9-8-15(21)22/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)