(phenylmethyl) 2-nitropyridine-3-sulfonate

Systemtic Name: (phenylmethyl) 2-nitropyridine-3-sulfonate Openeye Name: benzyl 2-nitropyridine-3-sulfonate CAS Name: 2-nitro-3-pyridinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 2-nitropyridine-3-sulfonate Traditional Name: 2-nitropyridine-3-sulfonic acid benzyl ester Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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