2-[3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-2-oxidanylidene-1,3-diazinan-1-yl]ethanoic acid Openeye Name: 2-[3-[(2-chloro-4-fluoro-phenyl)methyl]-2-oxo-hexahydropyrimidin-1-yl]acetic acid CAS Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]acetic acid IUPAC Name: 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]acetic acid Traditional Name: 2-[3-(2-chloro-4-fluoro-benzyl)-2-keto-hexahydropyrimidin-1-yl]acetic acid Formula: C13H14ClFN2O3 MolecularWeight: 300.713263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N(C1)CC(=O)O)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C1CN(C(=O)N(C1)CC(=O)O)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H14ClFN2O3/c14-11-6-10(15)3-2-9(11)7-16-4-1-5-17(13(16)20)8-12(18)19/h2-3,6H,1,4-5,7-8H2,(H,18,19)