4-[5-oxidanylidene-3-(pyridin-3-ylmethyl)-4H-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[5-oxidanylidene-3-(pyridin-3-ylmethyl)-4H-pyrazol-1-yl]benzoic acid Openeye Name: 4-[5-oxo-3-(3-pyridylmethyl)-4H-pyrazol-1-yl]benzoic acid CAS Name: 4-[5-oxo-3-(3-pyridinylmethyl)-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 4-[5-oxo-3-(pyridin-3-ylmethyl)-4H-pyrazol-1-yl]benzoic acid Traditional Name: 4-[5-keto-3-(3-pyridylmethyl)-2-pyrazolin-1-yl]benzoic acid Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)C(=O)O)CC3=CN=CC=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)C(=O)O)CC3=CN=CC=C3

InChI

InChI=1S/C16H13N3O3/c20-15-9-13(8-11-2-1-7-17-10-11)18-19(15)14-5-3-12(4-6-14)16(21)22/h1-7,10H,8-9H2,(H,21,22)