3-(aminomethyl)-5-(3-nitrophenoxy)hexanoic acid

Systemtic Name: 3-(aminomethyl)-5-(3-nitrophenoxy)hexanoic acid Openeye Name: 3-(aminomethyl)-5-(3-nitrophenoxy)hexanoic acid CAS Name: 3-(aminomethyl)-5-(3-nitrophenoxy)hexanoic acid IUPAC Name: 3-(aminomethyl)-5-(3-nitrophenoxy)hexanoic acid Traditional Name: 3-(aminomethyl)-5-(3-nitrophenoxy)hexanoic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(=O)O)CN)OC1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(CC(=O)O)CN)OC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O5/c1-9(5-10(8-14)6-13(16)17)20-12-4-2-3-11(7-12)15(18)19/h2-4,7,9-10H,5-6,8,14H2,1H3,(H,16,17)