2-[2-[(5-nitropyridin-2-yl)amino]phenyl]sulfanylethanoate

Systemtic Name: 2-[2-[(5-nitropyridin-2-yl)amino]phenyl]sulfanylethanoate Openeye Name: 2-[2-[(5-nitro-2-pyridyl)amino]phenyl]sulfanylacetate CAS Name: 2-[[2-[(5-nitro-2-pyridinyl)amino]phenyl]thio]acetate IUPAC Name: 2-[2-[(5-nitropyridin-2-yl)amino]phenyl]sulfanylacetate Traditional Name: 2-[[2-[(5-nitro-2-pyridyl)amino]phenyl]thio]acetate Formula: C13H10N3O4S- MolecularWeight: 304.3012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC2=NC=C(C=C2)[N+](=O)[O-])SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NC2=NC=C(C=C2)[N+](=O)[O-])SCC(=O)[O-]

InChI

InChI=1S/C13H11N3O4S/c17-13(18)8-21-11-4-2-1-3-10(11)15-12-6-5-9(7-14-12)16(19)20/h1-7H,8H2,(H,14,15)(H,17,18)/p-1