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

Systemtic Name: [4-(2,4-dinitrophenoxy)-1-(phosphonooxyamino)butan-2-yl]phosphonic acid Openeye Name: [3-(2,4-dinitrophenoxy)-1-[(phosphonooxyamino)methyl]propyl]phosphonic acid CAS Name: [4-(2,4-dinitrophenoxy)-1-(phosphonooxyamino)butan-2-yl]phosphonic acid IUPAC Name: [4-(2,4-dinitrophenoxy)-1-(phosphonooxyamino)butan-2-yl]phosphonic acid Traditional Name: [3-(2,4-dinitrophenoxy)-1-[(phosphonooxyamino)methyl]propyl]phosphonic acid Formula: C10H15N3O12P2 MolecularWeight: 431.186522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O12P2/c14-12(15)7-1-2-10(9(5-7)13(16)17)24-4-3-8(26(18,19)20)6-11-25-27(21,22)23/h1-2,5,8,11H,3-4,6H2,(H2,18,19,20)(H2,21,22,23)