3-nitro-N-(pyridin-1-ium-4-ylmethyl)benzamide

Systemtic Name: 3-nitro-N-(pyridin-1-ium-4-ylmethyl)benzamide Openeye Name: 3-nitro-N-(pyridin-1-ium-4-ylmethyl)benzamide CAS Name: 3-nitro-N-(4-pyridin-1-iumylmethyl)benzamide IUPAC Name: 3-nitro-N-(pyridin-1-ium-4-ylmethyl)benzamide Traditional Name: 3-nitro-N-(pyridin-1-ium-4-ylmethyl)benzamide Formula: C13H12N3O3+ MolecularWeight: 258.25268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCC2=CC=[NH+]C=C2

InChI

InChI=1S/C13H11N3O3/c17-13(15-9-10-4-6-14-7-5-10)11-2-1-3-12(8-11)16(18)19/h1-8H,9H2,(H,15,17)/p+1