3-methyl-4-nitro-N-pyridin-1-ium-4-yl-benzamide

Systemtic Name: 3-methyl-4-nitro-N-pyridin-1-ium-4-yl-benzamide Openeye Name: 3-methyl-4-nitro-N-pyridin-1-ium-4-yl-benzamide CAS Name: 3-methyl-4-nitro-N-(4-pyridin-1-iumyl)benzamide IUPAC Name: 3-methyl-4-nitro-N-pyridin-1-ium-4-ylbenzamide Traditional Name: 3-methyl-4-nitro-N-pyridin-1-ium-4-yl-benzamide Formula: C13H12N3O3+ MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=[NH+]C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=[NH+]C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O3/c1-9-8-10(2-3-12(9)16(18)19)13(17)15-11-4-6-14-7-5-11/h2-8H,1H3,(H,14,15,17)/p+1