3-(aminomethyl)-5-methyl-6-(3-nitrophenoxy)hexanoic acid

Systemtic Name: 3-(aminomethyl)-5-methyl-6-(3-nitrophenoxy)hexanoic acid Openeye Name: 3-(aminomethyl)-5-methyl-6-(3-nitrophenoxy)hexanoic acid CAS Name: 3-(aminomethyl)-5-methyl-6-(3-nitrophenoxy)hexanoic acid IUPAC Name: 3-(aminomethyl)-5-methyl-6-(3-nitrophenoxy)hexanoic acid Traditional Name: 3-(aminomethyl)-5-methyl-6-(3-nitrophenoxy)hexanoic acid Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC(=O)O)CN)COC1=CC=CC(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(CC(CC(=O)O)CN)COC1=CC=CC(=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O5/c1-10(5-11(8-15)6-14(17)18)9-21-13-4-2-3-12(7-13)16(19)20/h2-4,7,10-11H,5-6,8-9,15H2,1H3,(H,17,18)