2-[6-methyl-3-nitro-4-oxidanyl-2-oxidanylidene-1-(phenylmethyl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[6-methyl-3-nitro-4-oxidanyl-2-oxidanylidene-1-(phenylmethyl)pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-(1-benzyl-4-hydroxy-6-methyl-3-nitro-2-oxo-pyridin-1-ium-1-yl)acetate CAS Name: 2-[4-hydroxy-6-methyl-3-nitro-2-oxo-1-(phenylmethyl)-1-pyridin-1-iumyl]acetate IUPAC Name: 2-(1-benzyl-4-hydroxy-6-methyl-3-nitro-2-oxopyridin-1-ium-1-yl)acetate Traditional Name: 2-(1-benzyl-4-hydroxy-2-keto-6-methyl-3-nitro-pyridin-1-ium-1-yl)acetate Formula: C15H14N2O6 MolecularWeight: 318.28146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(CC2=CC=CC=C2)CC(=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(CC2=CC=CC=C2)CC(=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C15H14N2O6/c1-10-7-12(18)14(16(22)23)15(21)17(10,9-13(19)20)8-11-5-3-2-4-6-11/h2-7H,8-9H2,1H3,(H-,18,19,20,21)