2-(3-nitropyridin-2-yl)-2-sulfanyl-propanoic acid

Systemtic Name: 2-(3-nitropyridin-2-yl)-2-sulfanyl-propanoic acid Openeye Name: 2-(3-nitro-2-pyridyl)-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-2-(3-nitro-2-pyridinyl)propanoic acid IUPAC Name: 2-(3-nitropyridin-2-yl)-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-2-(3-nitro-2-pyridyl)propionic acid Formula: C8H8N2O4S MolecularWeight: 228.22512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC=N1)[N+](=O)[O-])(C(=O)O)S

Isomeric SMILES

CC(C1=C(C=CC=N1)[N+](=O)[O-])(C(=O)O)S

InChI

InChI=1S/C8H8N2O4S/c1-8(15,7(11)12)6-5(10(13)14)3-2-4-9-6/h2-4,15H,1H3,(H,11,12)