2-[diacetyloxy(pyrimidin-2-yl)methyl]-4-nitro-phenolate

Systemtic Name: 2-[diacetyloxy(pyrimidin-2-yl)methyl]-4-nitro-phenolate Openeye Name: 2-[diacetoxy(pyrimidin-2-yl)methyl]-4-nitro-phenolate CAS Name: 2-[diacetyloxy(2-pyrimidinyl)methyl]-4-nitrophenolate IUPAC Name: 2-[diacetyloxy(pyrimidin-2-yl)methyl]-4-nitrophenolate Traditional Name: 2-[diacetoxy(2-pyrimidyl)methyl]-4-nitro-phenolate Formula: C15H12N3O7- MolecularWeight: 346.27168

Click to see the large picture

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/p-1