[2-(6-acetamidopyridin-3-yl)-2-oxidanyl-ethyl] (4-nitrophenyl) sulfite

Systemtic Name: [2-(6-acetamidopyridin-3-yl)-2-oxidanyl-ethyl] (4-nitrophenyl) sulfite Openeye Name: [2-(6-acetamido-3-pyridyl)-2-hydroxy-ethyl] (4-nitrophenyl) sulfite CAS Name: sulfurous acid [2-(6-acetamido-3-pyridinyl)-2-hydroxyethyl] (4-nitrophenyl) ester IUPAC Name: [2-(6-acetamidopyridin-3-yl)-2-hydroxyethyl] (4-nitrophenyl) sulfite Traditional Name: sulfurous acid [2-(6-acetamido-3-pyridyl)-2-hydroxy-ethyl] (4-nitrophenyl) ester Formula: C15H15N3O7S MolecularWeight: 381.3605

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC=C(C=C1)C(COS(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

CC(=O)NC1=NC=C(C=C1)C(COS(=O)OC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H15N3O7S/c1-10(19)17-15-7-2-11(8-16-15)14(20)9-24-26(23)25-13-5-3-12(4-6-13)18(21)22/h2-8,14,20H,9H2,1H3,(H,16,17,19)