(phenylmethyl) 4-nitropyridine-3-sulfonate

Systemtic Name: (phenylmethyl) 4-nitropyridine-3-sulfonate Openeye Name: benzyl 4-nitropyridine-3-sulfonate CAS Name: 4-nitro-3-pyridinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 4-nitropyridine-3-sulfonate Traditional Name: 4-nitropyridine-3-sulfonic acid benzyl ester Formula: C12H10N2O5S MolecularWeight: 294.2832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N2O5S/c15-14(16)11-6-7-13-8-12(11)20(17,18)19-9-10-4-2-1-3-5-10/h1-8H,9H2