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

Systemtic Name: 3-[4-(3-oxidanyl-3-oxidanylidene-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-hydroxy-3-oxo-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-phenyl-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-hydroxy-3-oxoprop-1-enyl)-3-phenylpyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-hydroxy-3-keto-prop-1-enyl)-3-phenyl-pyrazol-1-yl]propionic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O4/c18-13(19)7-6-12-10-17(9-8-14(20)21)16-15(12)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H,20,21)