3-(aminomethyl)-5-(4-nitrophenoxy)hexanoic acid

Systemtic Name: 3-(aminomethyl)-5-(4-nitrophenoxy)hexanoic acid Openeye Name: 3-(aminomethyl)-5-(4-nitrophenoxy)hexanoic acid CAS Name: 3-(aminomethyl)-5-(4-nitrophenoxy)hexanoic acid IUPAC Name: 3-(aminomethyl)-5-(4-nitrophenoxy)hexanoic acid Traditional Name: 3-(aminomethyl)-5-(4-nitrophenoxy)hexanoic acid Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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