6-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(5-nitropyridin-2-yl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-[(5-nitro-2-pyridyl)sulfanyl]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[(5-nitro-2-pyridinyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(5-nitropyridin-2-yl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(5-nitro-2-pyridyl)thio]acetyl]amino]hexanoic acid Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1[N+](=O)[O-])SCC(=O)NCCCCCC(=O)O

Isomeric SMILES

C1=CC(=NC=C1[N+](=O)[O-])SCC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C13H17N3O5S/c17-11(14-7-3-1-2-4-13(18)19)9-22-12-6-5-10(8-15-12)16(20)21/h5-6,8H,1-4,7,9H2,(H,14,17)(H,18,19)