6-[(2,4-dinitronaphthalen-1-yl)amino]hexanoic acid

Systemtic Name: 6-[(2,4-dinitronaphthalen-1-yl)amino]hexanoic acid Openeye Name: 6-[(2,4-dinitro-1-naphthyl)amino]hexanoic acid CAS Name: 6-[(2,4-dinitro-1-naphthalenyl)amino]hexanoic acid IUPAC Name: 6-[(2,4-dinitronaphthalen-1-yl)amino]hexanoic acid Traditional Name: 6-[(2,4-dinitro-1-naphthyl)amino]hexanoic acid Formula: C16H17N3O6 MolecularWeight: 347.32268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2NCCCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2NCCCCCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c20-15(21)8-2-1-5-9-17-16-12-7-4-3-6-11(12)13(18(22)23)10-14(16)19(24)25/h3-4,6-7,10,17H,1-2,5,8-9H2,(H,20,21)