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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC=[N+](C=C2)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC=[N+](C=C2)[O-])[N+](=O)[O-]

InChI

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