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

Systemtic Name: [1-azanyl-4-(2,4-dinitrophenoxy)butan-2-yl]phosphonic acid Openeye Name: [1-(aminomethyl)-3-(2,4-dinitrophenoxy)propyl]phosphonic acid CAS Name: [1-amino-4-(2,4-dinitrophenoxy)butan-2-yl]phosphonic acid IUPAC Name: [1-amino-4-(2,4-dinitrophenoxy)butan-2-yl]phosphonic acid Traditional Name: [1-(aminomethyl)-3-(2,4-dinitrophenoxy)propyl]phosphonic acid Formula: C10H14N3O8P MolecularWeight: 335.207221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N3O8P/c11-6-8(22(18,19)20)3-4-21-10-2-1-7(12(14)15)5-9(10)13(16)17/h1-2,5,8H,3-4,6,11H2,(H2,18,19,20)