4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-amine

Systemtic Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-amine Openeye Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-butan-1-amine CAS Name: 4-(2,4-dinitrophenoxy)-2-phosphonato-1-butanamine IUPAC Name: 4-(2,4-dinitrophenoxy)-2-phosphonatobutan-1-amine Traditional Name: [4-(2,4-dinitrophenoxy)-2-phosphonato-butyl]amine Formula: C10H12N3O8P-2 MolecularWeight: 333.191341

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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)/p-2