[1-azanyl-2-(4-nitrophenyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [1-azanyl-2-(4-nitrophenyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: [1-amino-2-(4-nitrophenyl)-1-phosphono-ethyl]phosphonic acid CAS Name: [1-amino-2-(4-nitrophenyl)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-amino-2-(4-nitrophenyl)-1-phosphonoethyl]phosphonic acid Traditional Name: [1-amino-2-(4-nitrophenyl)-1-phosphono-ethyl]phosphonic acid Formula: C8H12N2O8P2 MolecularWeight: 326.137002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(N)(P(=O)(O)O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(N)(P(=O)(O)O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C8H12N2O8P2/c9-8(19(13,14)15,20(16,17)18)5-6-1-3-7(4-2-6)10(11)12/h1-4H,5,9H2,(H2,13,14,15)(H2,16,17,18)