2-nitro-N-pyridin-1-ium-4-yl-benzamide

Systemtic Name: 2-nitro-N-pyridin-1-ium-4-yl-benzamide Openeye Name: 2-nitro-N-pyridin-1-ium-4-yl-benzamide CAS Name: 2-nitro-N-(4-pyridin-1-iumyl)benzamide IUPAC Name: 2-nitro-N-pyridin-1-ium-4-ylbenzamide Traditional Name: 2-nitro-N-pyridin-1-ium-4-yl-benzamide Formula: C12H10N3O3+ MolecularWeight: 244.2261

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N3O3/c16-12(14-9-5-7-13-8-6-9)10-3-1-2-4-11(10)15(17)18/h1-8H,(H,13,14,16)/p+1