[acetyloxy-(5-nitro-2-oxidanyl-phenyl)-pyrimidin-2-yl-methyl] ethanoate

Systemtic Name: [acetyloxy-(5-nitro-2-oxidanyl-phenyl)-pyrimidin-2-yl-methyl] ethanoate Openeye Name: [acetoxy-(2-hydroxy-5-nitro-phenyl)-pyrimidin-2-yl-methyl] acetate CAS Name: acetic acid [acetyloxy-(2-hydroxy-5-nitrophenyl)-(2-pyrimidinyl)methyl] ester IUPAC Name: [acetyloxy-(2-hydroxy-5-nitrophenyl)-pyrimidin-2-ylmethyl] acetate Traditional Name: acetic acid [acetoxy-(2-hydroxy-5-nitro-phenyl)-(2-pyrimidyl)methyl] ester Formula: C15H13N3O7 MolecularWeight: 347.27962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(C=CC(=C1)[N+](=O)[O-])O)(C2=NC=CC=N2)OC(=O)C

Isomeric SMILES

CC(=O)OC(C1=C(C=CC(=C1)[N+](=O)[O-])O)(C2=NC=CC=N2)OC(=O)C

InChI

InChI=1S/C15H13N3O7/c1-9(19)24-15(25-10(2)20,14-16-6-3-7-17-14)12-8-11(18(22)23)4-5-13(12)21/h3-8,21H,1-2H3