2-[3-(1H-imidazol-2-ylmethyl)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxidanylidene-4H-pyrazol-1-yl]-2-phenyl-ethanoic acid Openeye Name: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]-2-phenyl-acetic acid CAS Name: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]-2-phenylacetic acid IUPAC Name: 2-[3-(1H-imidazol-2-ylmethyl)-5-oxo-4H-pyrazol-1-yl]-2-phenylacetic acid Traditional Name: 2-[3-(1H-imidazol-2-ylmethyl)-5-keto-2-pyrazolin-1-yl]-2-phenyl-acetic acid Formula: C15H14N4O3 MolecularWeight: 298.29666

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C(C2=CC=CC=C2)C(=O)O)CC3=NC=CN3

Isomeric SMILES

C1C(=NN(C1=O)C(C2=CC=CC=C2)C(=O)O)CC3=NC=CN3

InChI

InChI=1S/C15H14N4O3/c20-13-9-11(8-12-16-6-7-17-12)18-19(13)14(15(21)22)10-4-2-1-3-5-10/h1-7,14H,8-9H2,(H,16,17)(H,21,22)