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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN2C=C(C=N2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CN2C=C(C=N2)/C(=C\C(=O)C(=O)O)/O

InChI

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