4-[2-(5-chloranyl-2-oxidanylidene-pyrimidin-1-yl)ethanoyl]-2-ethyl-benzoic acid

Systemtic Name: 4-[2-(5-chloranyl-2-oxidanylidene-pyrimidin-1-yl)ethanoyl]-2-ethyl-benzoic acid Openeye Name: 4-[2-(5-chloro-2-oxo-pyrimidin-1-yl)acetyl]-2-ethyl-benzoic acid CAS Name: 4-[2-(5-chloro-2-oxo-1-pyrimidinyl)-1-oxoethyl]-2-ethylbenzoic acid IUPAC Name: 4-[2-(5-chloro-2-oxopyrimidin-1-yl)acetyl]-2-ethylbenzoic acid Traditional Name: 4-[2-(5-chloro-2-keto-pyrimidin-1-yl)acetyl]-2-ethyl-benzoic acid Formula: C15H13ClN2O4 MolecularWeight: 320.72772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)CN2C=C(C=NC2=O)Cl)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)CN2C=C(C=NC2=O)Cl)C(=O)O

InChI

InChI=1S/C15H13ClN2O4/c1-2-9-5-10(3-4-12(9)14(20)21)13(19)8-18-7-11(16)6-17-15(18)22/h3-7H,2,8H2,1H3,(H,20,21)