(E)-4-oxidanyl-2-oxidanylidene-4-[5-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]but-3-enoic acid

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[5-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[5-(4-pyridylmethyl)-1H-pyrazol-3-yl]but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[5-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-[5-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[5-(4-pyridylmethyl)-1H-pyrazol-3-yl]but-3-enoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=CC(=NN2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CC2=CC(=NN2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H11N3O4/c17-11(7-12(18)13(19)20)10-6-9(15-16-10)5-8-1-3-14-4-2-8/h1-4,6-7,17H,5H2,(H,15,16)(H,19,20)/b11-7+