[(2-butoxy-2-oxidanylidene-ethyl)-[(4-nitrophenyl)sulfonylamino]amino]methylphosphonic acid

Systemtic Name: [(2-butoxy-2-oxidanylidene-ethyl)-[(4-nitrophenyl)sulfonylamino]amino]methylphosphonic acid Openeye Name: [(2-butoxy-2-oxo-ethyl)-[(4-nitrophenyl)sulfonylamino]amino]methylphosphonic acid CAS Name: [(2-butoxy-2-oxoethyl)-[(4-nitrophenyl)sulfonylamino]amino]methylphosphonic acid IUPAC Name: [(2-butoxy-2-oxoethyl)-[(4-nitrophenyl)sulfonylamino]amino]methylphosphonic acid Traditional Name: [(2-butoxy-2-keto-ethyl)-(nosylamino)amino]methylphosphonic acid Formula: C13H20N3O9PS MolecularWeight: 425.351361

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN(CP(=O)(O)O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)CN(CP(=O)(O)O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H20N3O9PS/c1-2-3-8-25-13(17)9-15(10-26(20,21)22)14-27(23,24)12-6-4-11(5-7-12)16(18)19/h4-7,14H,2-3,8-10H2,1H3,(H2,20,21,22)