ethyl (Z)-4-ethoxy-4-oxidanyl-2-oxidanylidene-3-pyrimidin-2-ylcarbonyl-but-3-enoate

Systemtic Name: ethyl (Z)-4-ethoxy-4-oxidanyl-2-oxidanylidene-3-pyrimidin-2-ylcarbonyl-but-3-enoate Openeye Name: ethyl (Z)-4-ethoxy-4-hydroxy-2-oxo-3-(pyrimidine-2-carbonyl)but-3-enoate CAS Name: (Z)-4-ethoxy-4-hydroxy-2-oxo-3-[oxo(2-pyrimidinyl)methyl]-3-butenoic acid ethyl ester IUPAC Name: ethyl (Z)-4-ethoxy-4-hydroxy-2-oxo-3-(pyrimidine-2-carbonyl)but-3-enoate Traditional Name: (Z)-4-ethoxy-4-hydroxy-2-keto-3-(pyrimidine-2-carbonyl)but-3-enoic acid ethyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C(=O)C1=NC=CC=N1)C(=O)C(=O)OCC)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-3-20-12(18)8(10(17)13(19)21-4-2)9(16)11-14-6-5-7-15-11/h5-7,18H,3-4H2,1-2H3/b12-8-