4-ethanoylsulfanyl-3-[(4-nitrophenyl)methoxycarbonyl]pyridine-2-carboxylic acid

Systemtic Name: 4-ethanoylsulfanyl-3-[(4-nitrophenyl)methoxycarbonyl]pyridine-2-carboxylic acid Openeye Name: 4-acetylsulfanyl-3-[(4-nitrophenyl)methoxycarbonyl]pyridine-2-carboxylic acid CAS Name: 4-(acetylthio)-3-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyridinecarboxylic acid IUPAC Name: 4-acetylsulfanyl-3-[(4-nitrophenyl)methoxycarbonyl]pyridine-2-carboxylic acid Traditional Name: 4-(acetylthio)-3-(4-nitrobenzyl)oxycarbonyl-picolinic acid Formula: C16H12N2O7S MolecularWeight: 376.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O7S/c1-9(19)26-12-6-7-17-14(15(20)21)13(12)16(22)25-8-10-2-4-11(5-3-10)18(23)24/h2-7H,8H2,1H3,(H,20,21)