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

Systemtic Name: 2-[1,6-dimethyl-3-nitro-2-oxidanylidene-4-(phenylmethyl)pyridin-1-ium-1-yl]ethanoic acid Openeye Name: 2-(4-benzyl-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-(phenylmethyl)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-(4-benzyl-1,6-dimethyl-3-nitro-2-oxopyridin-1-ium-1-yl)acetic acid Traditional Name: 2-(4-benzyl-2-keto-1,6-dimethyl-3-nitro-pyridin-1-ium-1-yl)acetic acid Formula: C16H17N2O5+ MolecularWeight: 317.31658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c1-11-8-13(9-12-6-4-3-5-7-12)15(17(22)23)16(21)18(11,2)10-14(19)20/h3-8H,9-10H2,1-2H3/p+1