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

Systemtic Name: [2-oxidanylidene-2-(pyrimidin-2-ylamino)ethyl] 3-nitrobenzoate Openeye Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-(2-pyrimidinylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pyrimidin-2-ylamino)ethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-(2-pyrimidylamino)ethyl] ester Formula: C13H10N4O5 MolecularWeight: 302.2423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=NC=CC=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=NC=CC=N2

InChI

InChI=1S/C13H10N4O5/c18-11(16-13-14-5-2-6-15-13)8-22-12(19)9-3-1-4-10(7-9)17(20)21/h1-7H,8H2,(H,14,15,16,18)