5-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-tert-butoxy-2-[(3-nitro-2-pyridyl)sulfanylamino]-5-oxo-pentanoic acid CAS Name: 5-[(2-methylpropan-2-yl)oxy]-2-[[(3-nitro-2-pyridinyl)thio]amino]-5-oxopentanoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxy]-2-[(3-nitropyridin-2-yl)sulfanylamino]-5-oxopentanoic acid Traditional Name: 5-tert-butoxy-5-keto-2-[[(3-nitro-2-pyridyl)thio]amino]valeric acid Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C(=O)O)NSC1=C(C=CC=N1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C(=O)O)NSC1=C(C=CC=N1)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O6S/c1-14(2,3)23-11(18)7-6-9(13(19)20)16-24-12-10(17(21)22)5-4-8-15-12/h4-5,8-9,16H,6-7H2,1-3H3,(H,19,20)