[(E)-4-[2,4-bis(oxidanylidene)-5-phenyl-pyrimidin-1-yl]but-2-enyl]phosphonic acid

Systemtic Name: [(E)-4-[2,4-bis(oxidanylidene)-5-phenyl-pyrimidin-1-yl]but-2-enyl]phosphonic acid Openeye Name: [(E)-4-(2,4-dioxo-5-phenyl-pyrimidin-1-yl)but-2-enyl]phosphonic acid CAS Name: [(E)-4-(2,4-dioxo-5-phenyl-1-pyrimidinyl)but-2-enyl]phosphonic acid IUPAC Name: [(E)-4-(2,4-dioxo-5-phenylpyrimidin-1-yl)but-2-enyl]phosphonic acid Traditional Name: [(E)-4-(2,4-diketo-5-phenyl-pyrimidin-1-yl)but-2-enyl]phosphonic acid Formula: C14H15N2O5P MolecularWeight: 322.253061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)CC=CCP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)C/C=C/CP(=O)(O)O

InChI

InChI=1S/C14H15N2O5P/c17-13-12(11-6-2-1-3-7-11)10-16(14(18)15-13)8-4-5-9-22(19,20)21/h1-7,10H,8-9H2,(H,15,17,18)(H2,19,20,21)/b5-4+