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

Systemtic Name: 2-[2-(3-nitrophenyl)ethanoylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-(3-nitrophenyl)acetyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(3-nitrophenyl)-1-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(3-nitrophenyl)acetyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(3-nitrophenyl)acetyl]thio]nicotinic acid Formula: C14H10N2O5S MolecularWeight: 318.3046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CC(=O)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H10N2O5S/c17-12(8-9-3-1-4-10(7-9)16(20)21)22-13-11(14(18)19)5-2-6-15-13/h1-7H,8H2,(H,18,19)