2-(2-acetamidoethylamino)-5-nitro-benzenesulfonic acid

Systemtic Name: 2-(2-acetamidoethylamino)-5-nitro-benzenesulfonic acid Openeye Name: 2-(2-acetamidoethylamino)-5-nitro-benzenesulfonic acid CAS Name: 2-(2-acetamidoethylamino)-5-nitrobenzenesulfonic acid IUPAC Name: 2-(2-acetamidoethylamino)-5-nitrobenzenesulfonic acid Traditional Name: 2-(2-acetamidoethylamino)-5-nitro-besylic acid Formula: C10H13N3O6S MolecularWeight: 303.29172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

Isomeric SMILES

CC(=O)NCCNC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C10H13N3O6S/c1-7(14)11-4-5-12-9-3-2-8(13(15)16)6-10(9)20(17,18)19/h2-3,6,12H,4-5H2,1H3,(H,11,14)(H,17,18,19)