4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethoxy]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethoxy]benzoic acid Openeye Name: 4-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]benzoic acid CAS Name: 4-[2-oxo-2-(2-pyrimidinylamino)ethoxy]benzoic acid IUPAC Name: 4-[2-oxo-2-(pyrimidin-2-ylamino)ethoxy]benzoic acid Traditional Name: 4-[2-keto-2-(2-pyrimidylamino)ethoxy]benzoic acid Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)COC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)COC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H11N3O4/c17-11(16-13-14-6-1-7-15-13)8-20-10-4-2-9(3-5-10)12(18)19/h1-7H,8H2,(H,18,19)(H,14,15,16,17)