(2-acetyloxy-3-nitro-5-pyridin-4-ylcarbonyl-phenyl) ethanoate

Systemtic Name: (2-acetyloxy-3-nitro-5-pyridin-4-ylcarbonyl-phenyl) ethanoate Openeye Name: [2-acetoxy-3-nitro-5-(pyridine-4-carbonyl)phenyl] acetate CAS Name: acetic acid [2-acetyloxy-3-nitro-5-[oxo(pyridin-4-yl)methyl]phenyl] ester IUPAC Name: [2-acetyloxy-3-nitro-5-(pyridine-4-carbonyl)phenyl] acetate Traditional Name: acetic acid (2-acetoxy-5-isonicotinoyl-3-nitro-phenyl) ester Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C(=O)C2=CC=NC=C2

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C(=O)C2=CC=NC=C2

InChI

InChI=1S/C16H12N2O7/c1-9(19)24-14-8-12(15(21)11-3-5-17-6-4-11)7-13(18(22)23)16(14)25-10(2)20/h3-8H,1-2H3