(2E)-3-oxidanylidene-2-(pyrimidin-5-ylmethylidene)butanoic acid

Systemtic Name: (2E)-3-oxidanylidene-2-(pyrimidin-5-ylmethylidene)butanoic acid Openeye Name: (2E)-3-oxo-2-(pyrimidin-5-ylmethylene)butanoic acid CAS Name: (2E)-3-oxo-2-(5-pyrimidinylmethylidene)butanoic acid IUPAC Name: (2E)-3-oxo-2-(pyrimidin-5-ylmethylidene)butanoic acid Traditional Name: (E)-2-acetyl-3-(5-pyrimidyl)acrylic acid Formula: C9H8N2O3 MolecularWeight: 192.17142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CN=CN=C1)C(=O)O

Isomeric SMILES

CC(=O)/C(=C\C1=CN=CN=C1)/C(=O)O

InChI

InChI=1S/C9H8N2O3/c1-6(12)8(9(13)14)2-7-3-10-5-11-4-7/h2-5H,1H3,(H,13,14)/b8-2+