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

Systemtic Name: N-[(3-nitro-4-propoxy-phenyl)methyl]ethanamine Openeye Name: N-[(3-nitro-4-propoxy-phenyl)methyl]ethanamine CAS Name: N-[(3-nitro-4-propoxyphenyl)methyl]ethanamine IUPAC Name: N-[(3-nitro-4-propoxyphenyl)methyl]ethanamine Traditional Name: ethyl-(3-nitro-4-propoxy-benzyl)amine Formula: C12H18N2O3 MolecularWeight: 238.28292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNCC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNCC)[N+](=O)[O-]

InChI

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