3-[(2,4-dinitrophenyl)amino]propyl phosphono hydrogen phosphate

Systemtic Name: 3-[(2,4-dinitrophenyl)amino]propyl phosphono hydrogen phosphate Openeye Name: 3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate CAS Name: 3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate IUPAC Name: 3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate Traditional Name: 3-(2,4-dinitroanilino)propyl phosphono hydrogen phosphate Formula: C9H13N3O11P2 MolecularWeight: 401.160542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCOP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCOP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C9H13N3O11P2/c13-11(14)7-2-3-8(9(6-7)12(15)16)10-4-1-5-22-25(20,21)23-24(17,18)19/h2-3,6,10H,1,4-5H2,(H,20,21)(H2,17,18,19)