[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-chloranylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-chloranylbenzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C13H10ClN3O3 MolecularWeight: 291.6898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)OCC(=O)NC2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)OCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C13H10ClN3O3/c14-10-4-1-3-9(7-10)12(19)20-8-11(18)17-13-15-5-2-6-16-13/h1-7H,8H2,(H,15,16,17,18)