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

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

Isomeric SMILES

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

InChI

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