3-ethoxy-N-[(2-methyl-3-nitro-phenyl)methyl]propan-1-amine

Systemtic Name: 3-ethoxy-N-[(2-methyl-3-nitro-phenyl)methyl]propan-1-amine Openeye Name: 3-ethoxy-N-[(2-methyl-3-nitro-phenyl)methyl]propan-1-amine CAS Name: 3-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]-1-propanamine IUPAC Name: 3-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]propan-1-amine Traditional Name: 3-ethoxypropyl-(2-methyl-3-nitro-benzyl)amine Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNCC1=C(C(=CC=C1)[N+](=O)[O-])C

Isomeric SMILES

CCOCCCNCC1=C(C(=CC=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N2O3/c1-3-18-9-5-8-14-10-12-6-4-7-13(11(12)2)15(16)17/h4,6-7,14H,3,5,8-10H2,1-2H3