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

Systemtic Name: 4-[3-(imidazol-1-ylmethyl)-5-oxidanylidene-4H-pyrazol-1-yl]benzoic acid Openeye Name: 4-[3-(imidazol-1-ylmethyl)-5-oxo-4H-pyrazol-1-yl]benzoic acid CAS Name: 4-[3-(1-imidazolylmethyl)-5-oxo-4H-pyrazol-1-yl]benzoic acid IUPAC Name: 4-[3-(imidazol-1-ylmethyl)-5-oxo-4H-pyrazol-1-yl]benzoic acid Traditional Name: 4-[3-(imidazol-1-ylmethyl)-5-keto-2-pyrazolin-1-yl]benzoic acid Formula: C14H12N4O3 MolecularWeight: 284.27008

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=C(C=C2)C(=O)O)CN3C=CN=C3

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=C(C=C2)C(=O)O)CN3C=CN=C3

InChI

InChI=1S/C14H12N4O3/c19-13-7-11(8-17-6-5-15-9-17)16-18(13)12-3-1-10(2-4-12)14(20)21/h1-6,9H,7-8H2,(H,20,21)