N-[(2-ethoxy-5-nitro-phenyl)methyl]propan-1-amine

Systemtic Name: N-[(2-ethoxy-5-nitro-phenyl)methyl]propan-1-amine Openeye Name: N-[(2-ethoxy-5-nitro-phenyl)methyl]propan-1-amine CAS Name: N-[(2-ethoxy-5-nitrophenyl)methyl]-1-propanamine IUPAC Name: N-[(2-ethoxy-5-nitrophenyl)methyl]propan-1-amine Traditional Name: (2-ethoxy-5-nitro-benzyl)-propyl-amine Formula: C12H18N2O3 MolecularWeight: 238.28292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC

Isomeric SMILES

CCCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC

InChI

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