[2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C15H12ClN5O6 MolecularWeight: 393.73868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H12ClN5O6/c16-10-4-9(5-11(6-10)21(25)26)14(24)19-7-13(23)27-8-12(22)20-15-17-2-1-3-18-15/h1-6H,7-8H2,(H,19,24)(H,17,18,20,22)