2-[4-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]phenyl]ethanoic acid Openeye Name: 2-[4-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]phenyl]acetic acid Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)NC(=O)CSC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O5S/c19-13(9-24-14-6-5-12(8-16-14)18(22)23)17-11-3-1-10(2-4-11)7-15(20)21/h1-6,8H,7,9H2,(H,17,19)(H,20,21)