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

Systemtic Name: 2-(1,6-dimethyl-3-nitro-4-oxidanyl-2-oxidanylidene-pyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-hydroxy-1,6-dimethyl-3-nitro-2-oxo-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-(4-hydroxy-1,6-dimethyl-3-nitro-2-oxo-1-pyridin-1-iumyl)acetic acid IUPAC Name: 2-(4-hydroxy-1,6-dimethyl-3-nitro-2-oxopyridin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-hydroxy-2-keto-1,6-dimethyl-3-nitro-pyridin-1-ium-1-yl)acetic acid Formula: C9H11N2O6+ MolecularWeight: 243.19344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6/c1-5-3-6(12)8(10(16)17)9(15)11(5,2)4-7(13)14/h3H,4H2,1-2H3,(H-,12,13,14,15)/p+1