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

Systemtic Name: 4-methoxy-3-nitro-N-pyridin-1-ium-4-yl-benzamide Openeye Name: 4-methoxy-3-nitro-N-pyridin-1-ium-4-yl-benzamide CAS Name: 4-methoxy-3-nitro-N-(4-pyridin-1-iumyl)benzamide IUPAC Name: 4-methoxy-3-nitro-N-pyridin-1-ium-4-ylbenzamide Traditional Name: 4-methoxy-3-nitro-N-pyridin-1-ium-4-yl-benzamide Formula: C13H12N3O4+ MolecularWeight: 274.25208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=[NH+]C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=[NH+]C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4/c1-20-12-3-2-9(8-11(12)16(18)19)13(17)15-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,15,17)/p+1