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

Systemtic Name: 2-[6-methyl-3-nitro-2-oxidanylidene-1-(phenylmethyl)pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-(1-benzyl-6-methyl-3-nitro-2-oxo-pyridin-1-ium-1-yl)acetate CAS Name: 2-[6-methyl-3-nitro-2-oxo-1-(phenylmethyl)-1-pyridin-1-iumyl]acetate IUPAC Name: 2-(1-benzyl-6-methyl-3-nitro-2-oxopyridin-1-ium-1-yl)acetate Traditional Name: 2-(1-benzyl-2-keto-6-methyl-3-nitro-pyridin-1-ium-1-yl)acetate Formula: C15H14N2O5 MolecularWeight: 302.28206

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O5/c1-11-7-8-13(16(21)22)15(20)17(11,10-14(18)19)9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3