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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CN2C=C(C=N2)C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CN=CC=C1CN2C=C(C=N2)/C(=C\C(=O)C(=O)O)/O

InChI

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