2-nitro-4-pentyl-1-phenylmethoxy-benzene; 2-phenylethanamine

Systemtic Name: 2-nitro-4-pentyl-1-phenylmethoxy-benzene; 2-phenylethanamine Openeye Name: 1-benzyloxy-2-nitro-4-pentyl-benzene; 2-phenylethanamine CAS Name: 2-nitro-4-pentyl-1-phenylmethoxybenzene; 2-phenylethanamine IUPAC Name: 2-nitro-4-pentyl-1-phenylmethoxybenzene; 2-phenylethanamine Traditional Name: 4-amyl-1-benzoxy-2-nitro-benzene; phenethylamine Formula: C26H32N2O3 MolecularWeight: 420.54388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)CCN

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)CCN

InChI

InChI=1S/C18H21NO3.C8H11N/c1-2-3-5-8-15-11-12-18(17(13-15)19(20)21)22-14-16-9-6-4-7-10-16;9-7-6-8-4-2-1-3-5-8/h4,6-7,9-13H,2-3,5,8,14H2,1H3;1-5H,6-7,9H2