2-(1,6-dimethyl-3-nitro-2-oxidanylidene-4-propan-2-yloxy-pyridin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1,6-dimethyl-3-nitro-2-oxidanylidene-4-propan-2-yloxy-pyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-isopropoxy-1,6-dimethyl-3-nitro-2-oxo-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-(1,6-dimethyl-3-nitro-2-oxo-4-propan-2-yloxy-1-pyridin-1-iumyl)acetic acid IUPAC Name: 2-(1,6-dimethyl-3-nitro-2-oxo-4-propan-2-yloxypyridin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-isopropoxy-2-keto-1,6-dimethyl-3-nitro-pyridin-1-ium-1-yl)acetic acid Formula: C12H17N2O6+ MolecularWeight: 285.27318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)[N+](=O)[O-])OC(C)C

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)O)[N+](=O)[O-])OC(C)C

InChI

InChI=1S/C12H16N2O6/c1-7(2)20-9-5-8(3)14(4,6-10(15)16)12(17)11(9)13(18)19/h5,7H,6H2,1-4H3/p+1