(4-nitrophenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid (4-nitrobenzyl) ester Formula: C13H10N2O5 MolecularWeight: 274.2289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C13H10N2O5/c16-13(12-3-1-2-8-14(12)17)20-9-10-4-6-11(7-5-10)15(18)19/h1-8H,9H2