(2E)-4-acetyloxy-3-oxidanylidene-2-(pyridin-2-ylmethylidene)butanoic acid

Systemtic Name: (2E)-4-acetyloxy-3-oxidanylidene-2-(pyridin-2-ylmethylidene)butanoic acid Openeye Name: (2E)-4-acetoxy-3-oxo-2-(2-pyridylmethylene)butanoic acid CAS Name: (2E)-4-acetyloxy-3-oxo-2-(2-pyridinylmethylidene)butanoic acid IUPAC Name: (2E)-4-acetyloxy-3-oxo-2-(pyridin-2-ylmethylidene)butanoic acid Traditional Name: (E)-2-(2-acetoxyacetyl)-3-(2-pyridyl)acrylic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(=O)C(=CC1=CC=CC=N1)C(=O)O

Isomeric SMILES

CC(=O)OCC(=O)/C(=C\C1=CC=CC=N1)/C(=O)O

InChI

InChI=1S/C12H11NO5/c1-8(14)18-7-11(15)10(12(16)17)6-9-4-2-3-5-13-9/h2-6H,7H2,1H3,(H,16,17)/b10-6+