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

Systemtic Name: (E)-4-oxidanyl-2-oxidanylidene-4-[4-(pyridin-2-ylmethyl)furan-3-yl]but-3-enoic acid Openeye Name: (E)-4-hydroxy-2-oxo-4-[4-(2-pyridylmethyl)-3-furyl]but-3-enoic acid CAS Name: (E)-4-hydroxy-2-oxo-4-[4-(2-pyridinylmethyl)-3-furanyl]-3-butenoic acid IUPAC Name: (E)-4-hydroxy-2-oxo-4-[4-(pyridin-2-ylmethyl)furan-3-yl]but-3-enoic acid Traditional Name: (E)-4-hydroxy-2-keto-4-[4-(2-pyridylmethyl)-3-furyl]but-3-enoic acid Formula: C14H11NO5 MolecularWeight: 273.24084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CC2=COC=C2C(=CC(=O)C(=O)O)O

Isomeric SMILES

C1=CC=NC(=C1)CC2=COC=C2/C(=C\C(=O)C(=O)O)/O

InChI

InChI=1S/C14H11NO5/c16-12(6-13(17)14(18)19)11-8-20-7-9(11)5-10-3-1-2-4-15-10/h1-4,6-8,16H,5H2,(H,18,19)/b12-6+