diethyl (E)-2-[5-chloranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-2-enedioate

Systemtic Name: diethyl (E)-2-[5-chloranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]but-2-enedioate Openeye Name: diethyl (E)-2-(5-chloro-2,4-dioxo-pyrimidin-1-yl)but-2-enedioate CAS Name: (E)-2-(5-chloro-2,4-dioxo-1-pyrimidinyl)-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-(5-chloro-2,4-dioxopyrimidin-1-yl)but-2-enedioate Traditional Name: (E)-2-(5-chloro-2,4-diketo-pyrimidin-1-yl)but-2-enedioic acid diethyl ester Formula: C12H13ClN2O6 MolecularWeight: 316.69442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)NC1=O)Cl

Isomeric SMILES

CCOC(=O)/C=C(\C(=O)OCC)/N1C=C(C(=O)NC1=O)Cl

InChI

InChI=1S/C12H13ClN2O6/c1-3-20-9(16)5-8(11(18)21-4-2)15-6-7(13)10(17)14-12(15)19/h5-6H,3-4H2,1-2H3,(H,14,17,19)/b8-5+