(E)-4-[5,6-bis(ethoxycarbonyl)-1-ethyl-2-oxidanylidene-pyridin-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid

Systemtic Name: (E)-4-[5,6-bis(ethoxycarbonyl)-1-ethyl-2-oxidanylidene-pyridin-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoic acid Openeye Name: (E)-4-[5,6-bis(ethoxycarbonyl)-1-ethyl-2-oxo-3-pyridyl]-4-hydroxy-2-oxo-but-3-enoic acid CAS Name: (E)-4-[5,6-bis(ethoxycarbonyl)-1-ethyl-2-oxo-3-pyridinyl]-4-hydroxy-2-oxo-3-butenoic acid IUPAC Name: (E)-4-[5,6-bis(ethoxycarbonyl)-1-ethyl-2-oxopyridin-3-yl]-4-hydroxy-2-oxobut-3-enoic acid Traditional Name: (E)-4-(5,6-dicarbethoxy-1-ethyl-2-keto-3-pyridyl)-4-hydroxy-2-keto-but-3-enoic acid Formula: C17H19NO9 MolecularWeight: 381.33406

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=C(C1=O)C(=CC(=O)C(=O)O)O)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCN1C(=C(C=C(C1=O)/C(=C\C(=O)C(=O)O)/O)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C17H19NO9/c1-4-18-13(17(25)27-6-3)10(16(24)26-5-2)7-9(14(18)21)11(19)8-12(20)15(22)23/h7-8,19H,4-6H2,1-3H3,(H,22,23)/b11-8+