4-[(E)-1-acetyloxy-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[(E)-1-acetyloxy-2-ethoxycarbonyl-3-oxidanylidene-but-1-enyl]pyridine-3-carboxylic acid Openeye Name: 4-[(E)-1-acetoxy-2-ethoxycarbonyl-3-oxo-but-1-enyl]pyridine-3-carboxylic acid CAS Name: 4-[(E)-1-acetyloxy-2-ethoxycarbonyl-3-oxobut-1-enyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[(E)-1-acetyloxy-2-ethoxycarbonyl-3-oxobut-1-enyl]pyridine-3-carboxylic acid Traditional Name: 4-[(E)-1-acetoxy-2-carbethoxy-3-keto-but-1-enyl]nicotinic acid Formula: C15H15NO7 MolecularWeight: 321.2821

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=C(C=NC=C1)C(=O)O)OC(=O)C)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(\C1=C(C=NC=C1)C(=O)O)/OC(=O)C)/C(=O)C

InChI

InChI=1S/C15H15NO7/c1-4-22-15(21)12(8(2)17)13(23-9(3)18)10-5-6-16-7-11(10)14(19)20/h5-7H,4H2,1-3H3,(H,19,20)/b13-12+