[1-(2,4-dinitrophenoxy)-3-(phosphonooxyamino)propan-2-yl]phosphonic acid

Systemtic Name: [1-(2,4-dinitrophenoxy)-3-(phosphonooxyamino)propan-2-yl]phosphonic acid Openeye Name: [1-[(2,4-dinitrophenoxy)methyl]-2-(phosphonooxyamino)ethyl]phosphonic acid CAS Name: [1-(2,4-dinitrophenoxy)-3-(phosphonooxyamino)propan-2-yl]phosphonic acid IUPAC Name: [1-(2,4-dinitrophenoxy)-3-(phosphonooxyamino)propan-2-yl]phosphonic acid Traditional Name: [1-[(2,4-dinitrophenoxy)methyl]-2-(phosphonooxyamino)ethyl]phosphonic acid Formula: C9H13N3O12P2 MolecularWeight: 417.159942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(CNOP(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OCC(CNOP(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H13N3O12P2/c13-11(14)6-1-2-9(8(3-6)12(15)16)23-5-7(25(17,18)19)4-10-24-26(20,21)22/h1-3,7,10H,4-5H2,(H2,17,18,19)(H2,20,21,22)