2-[(2,4-dinitrophenyl)methyl]-1-methyl-pyridin-1-ium

Systemtic Name: 2-[(2,4-dinitrophenyl)methyl]-1-methyl-pyridin-1-ium Openeye Name: 2-[(2,4-dinitrophenyl)methyl]-1-methyl-pyridin-1-ium CAS Name: 2-[(2,4-dinitrophenyl)methyl]-1-methylpyridin-1-ium IUPAC Name: 2-[(2,4-dinitrophenyl)methyl]-1-methylpyridin-1-ium Traditional Name: 2-(2,4-dinitrobenzyl)-1-methyl-pyridin-1-ium Formula: C13H12N3O4+ MolecularWeight: 274.25208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H12N3O4/c1-14-7-3-2-4-11(14)8-10-5-6-12(15(17)18)9-13(10)16(19)20/h2-7,9H,8H2,1H3/q+1