[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C13H11ClN4O3 MolecularWeight: 306.70444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)COC(=O)C2=CC(=C(C=C2)Cl)N

InChI

InChI=1S/C13H11ClN4O3/c14-9-3-2-8(6-10(9)15)12(20)21-7-11(19)18-13-16-4-1-5-17-13/h1-6H,7,15H2,(H,16,17,18,19)