(phenylmethyl) 5-azanyl-4-nitro-pyridine-3-sulfonate

Systemtic Name: (phenylmethyl) 5-azanyl-4-nitro-pyridine-3-sulfonate Openeye Name: benzyl 5-amino-4-nitro-pyridine-3-sulfonate CAS Name: 5-amino-4-nitro-3-pyridinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 5-amino-4-nitropyridine-3-sulfonate Traditional Name: 5-amino-4-nitro-pyridine-3-sulfonic acid benzyl ester Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O5S/c13-10-6-14-7-11(12(10)15(16)17)21(18,19)20-8-9-4-2-1-3-5-9/h1-7H,8,13H2