3-[3-(2-chlorophenyl)-4-oxidanylidene-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanoic acid

Systemtic Name: 3-[3-(2-chlorophenyl)-4-oxidanylidene-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanoic acid Openeye Name: 3-[3-(2-chlorophenyl)-4-oxo-isoxazolo[5,4-d]pyrimidin-5-yl]propanoic acid CAS Name: 3-[3-(2-chlorophenyl)-4-oxo-5-isoxazolo[5,4-d]pyrimidinyl]propanoic acid IUPAC Name: 3-[3-(2-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanoic acid Traditional Name: 3-[3-(2-chlorophenyl)-4-keto-isoxazolo[5,4-d]pyrimidin-5-yl]propionic acid Formula: C14H10ClN3O4 MolecularWeight: 319.6999

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NOC3=C2C(=O)N(C=N3)CCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NOC3=C2C(=O)N(C=N3)CCC(=O)O)Cl

InChI

InChI=1S/C14H10ClN3O4/c15-9-4-2-1-3-8(9)12-11-13(22-17-12)16-7-18(14(11)21)6-5-10(19)20/h1-4,7H,5-6H2,(H,19,20)