(4-acetamidophenyl) 2-[3-(nitrooxymethyl)pyridin-2-yl]ethanoate

Systemtic Name: (4-acetamidophenyl) 2-[3-(nitrooxymethyl)pyridin-2-yl]ethanoate Openeye Name: (4-acetamidophenyl) 2-[3-(nitrooxymethyl)-2-pyridyl]acetate CAS Name: 2-[3-(nitrooxymethyl)-2-pyridinyl]acetic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 2-[3-(nitrooxymethyl)pyridin-2-yl]acetate Traditional Name: 2-[3-(nitrooxymethyl)-2-pyridyl]acetic acid (4-acetamidophenyl) ester Formula: C16H15N3O6 MolecularWeight: 345.3068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CC2=C(C=CC=N2)CO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CC2=C(C=CC=N2)CO[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O6/c1-11(20)18-13-4-6-14(7-5-13)25-16(21)9-15-12(3-2-8-17-15)10-24-19(22)23/h2-8H,9-10H2,1H3,(H,18,20)