N-[(3-nitro-4-pentoxy-phenyl)methyl]ethanamine

Systemtic Name: N-[(3-nitro-4-pentoxy-phenyl)methyl]ethanamine Openeye Name: N-[(3-nitro-4-pentoxy-phenyl)methyl]ethanamine CAS Name: N-[(3-nitro-4-pentoxyphenyl)methyl]ethanamine IUPAC Name: N-[(3-nitro-4-pentoxyphenyl)methyl]ethanamine Traditional Name: (4-amoxy-3-nitro-benzyl)-ethyl-amine Formula: C14H22N2O3 MolecularWeight: 266.33608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)CNCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)CNCC)[N+](=O)[O-]

InChI

InChI=1S/C14H22N2O3/c1-3-5-6-9-19-14-8-7-12(11-15-4-2)10-13(14)16(17)18/h7-8,10,15H,3-6,9,11H2,1-2H3