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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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