4-methyl-N-(1-methylpyridin-1-ium-2-yl)-3-nitro-benzamide

Systemtic Name: 4-methyl-N-(1-methylpyridin-1-ium-2-yl)-3-nitro-benzamide Openeye Name: 4-methyl-N-(1-methylpyridin-1-ium-2-yl)-3-nitro-benzamide CAS Name: 4-methyl-N-(1-methyl-2-pyridin-1-iumyl)-3-nitrobenzamide IUPAC Name: 4-methyl-N-(1-methylpyridin-1-ium-2-yl)-3-nitrobenzamide Traditional Name: 4-methyl-N-(1-methylpyridin-1-ium-2-yl)-3-nitro-benzamide Formula: C14H14N3O3+ MolecularWeight: 272.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=[N+]2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=[N+]2C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O3/c1-10-6-7-11(9-12(10)17(19)20)14(18)15-13-5-3-4-8-16(13)2/h3-9H,1-2H3/p+1