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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CC2=C(NN=C2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CC2=C(NN=C2)/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C13H11N3O4/c17-10(6-11(18)13(19)20)12-9(7-15-16-12)5-8-1-3-14-4-2-8/h1-4,6-7,17H,5H2,(H,15,16)(H,19,20)/b10-6+