4-nitro-N-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 4-nitro-N-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]benzamide Openeye Name: 4-nitro-N-[(1-oxidopyridin-1-ium-4-yl)methyl]benzamide CAS Name: 4-nitro-N-[(1-oxido-4-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-nitro-N-[(1-oxidopyridin-1-ium-4-yl)methyl]benzamide Traditional Name: 4-nitro-N-[(1-oxidopyridin-1-ium-4-yl)methyl]benzamide Formula: C13H11N3O4 MolecularWeight: 273.24414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCC2=CC=[N+](C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCC2=CC=[N+](C=C2)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O4/c17-13(11-1-3-12(4-2-11)16(19)20)14-9-10-5-7-15(18)8-6-10/h1-8H,9H2,(H,14,17)