4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]-2H-pyridine-6-carboxylic acid

Systemtic Name: 4-ethanoylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]-2H-pyridine-6-carboxylic acid Openeye Name: 4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]-2H-pyridine-6-carboxylic acid CAS Name: 4-(acetylthio)-1-[(4-nitrophenyl)methoxy-oxomethyl]-2H-pyridine-6-carboxylic acid IUPAC Name: 4-acetylsulfanyl-1-[(4-nitrophenyl)methoxycarbonyl]-2H-pyridine-6-carboxylic acid Traditional Name: 4-(acetylthio)-1-(4-nitrobenzyl)oxycarbonyl-2H-pyridine-6-carboxylic acid Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CCN(C(=C1)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=CCN(C(=C1)C(=O)O)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7S/c1-10(19)26-13-6-7-17(14(8-13)15(20)21)16(22)25-9-11-2-4-12(5-3-11)18(23)24/h2-6,8H,7,9H2,1H3,(H,20,21)