(3-nitro-4-pentoxy-phenyl)methanamine

Systemtic Name: (3-nitro-4-pentoxy-phenyl)methanamine Openeye Name: (3-nitro-4-pentoxy-phenyl)methanamine CAS Name: (3-nitro-4-pentoxyphenyl)methanamine IUPAC Name: (3-nitro-4-pentoxyphenyl)methanamine Traditional Name: (4-amoxy-3-nitro-benzyl)amine Formula: C12H18N2O3 MolecularWeight: 238.28292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-2-3-4-7-17-12-6-5-10(9-13)8-11(12)14(15)16/h5-6,8H,2-4,7,9,13H2,1H3