1-[(2-azanyl-4-nitro-naphthalen-1-yl)amino]hexylphosphonic acid

Systemtic Name: 1-[(2-azanyl-4-nitro-naphthalen-1-yl)amino]hexylphosphonic acid Openeye Name: 1-[(2-amino-4-nitro-1-naphthyl)amino]hexylphosphonic acid CAS Name: 1-[(2-amino-4-nitro-1-naphthalenyl)amino]hexylphosphonic acid IUPAC Name: 1-[(2-amino-4-nitronaphthalen-1-yl)amino]hexylphosphonic acid Traditional Name: 1-[(2-amino-4-nitro-1-naphthyl)amino]hexylphosphonic acid Formula: C16H22N3O5P MolecularWeight: 367.336741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(NC1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])N)P(=O)(O)O

Isomeric SMILES

CCCCCC(NC1=C(C=C(C2=CC=CC=C21)[N+](=O)[O-])N)P(=O)(O)O

InChI

InChI=1S/C16H22N3O5P/c1-2-3-4-9-15(25(22,23)24)18-16-12-8-6-5-7-11(12)14(19(20)21)10-13(16)17/h5-8,10,15,18H,2-4,9,17H2,1H3,(H2,22,23,24)