(phenylmethyl) 2-azanyl-3-nitro-pyridine-4-sulfonate

Systemtic Name: (phenylmethyl) 2-azanyl-3-nitro-pyridine-4-sulfonate Openeye Name: benzyl 2-amino-3-nitro-pyridine-4-sulfonate CAS Name: 2-amino-3-nitro-4-pyridinesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-3-nitropyridine-4-sulfonate Traditional Name: 2-amino-3-nitro-pyridine-4-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(=NC=C2)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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