3-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]propylcarbamoperoxoic acid

Systemtic Name: 3-[[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]amino]propylcarbamoperoxoic acid Openeye Name: 3-[[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]propylcarbamoperoxoic acid CAS Name: 3-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]propylcarbamoperoxoic acid IUPAC Name: 3-[[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino]propylcarbamoperoxoic acid Traditional Name: 3-[[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]amino]propylcarbamoperoxoic acid Formula: C13H19N3O7 MolecularWeight: 329.30586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C(CO)NCCCNC(=O)OO)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C(CO)NCCCNC(=O)OO)O)[N+](=O)[O-]

InChI

InChI=1S/C13H19N3O7/c17-8-11(14-6-1-7-15-13(19)23-22)12(18)9-2-4-10(5-3-9)16(20)21/h2-5,11-12,14,17-18,22H,1,6-8H2,(H,15,19)