2-nitro-4-pentyl-1-phenylmethoxy-benzene; 2-(4-phenylmethoxyphenyl)ethanamine

Systemtic Name: 2-nitro-4-pentyl-1-phenylmethoxy-benzene; 2-(4-phenylmethoxyphenyl)ethanamine Openeye Name: 1-benzyloxy-2-nitro-4-pentyl-benzene; 2-(4-benzyloxyphenyl)ethanamine CAS Name: 2-nitro-4-pentyl-1-phenylmethoxybenzene; 2-(4-phenylmethoxyphenyl)ethanamine IUPAC Name: 2-nitro-4-pentyl-1-phenylmethoxybenzene; 2-(4-phenylmethoxyphenyl)ethanamine Traditional Name: 4-amyl-1-benzoxy-2-nitro-benzene; 2-(4-benzoxyphenyl)ethylamine Formula: C33H38N2O4 MolecularWeight: 526.66582

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)COC2=CC=C(C=C2)CCN

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

InChI

InChI=1S/C18H21NO3.C15H17NO/c1-2-3-5-8-15-11-12-18(17(13-15)19(20)21)22-14-16-9-6-4-7-10-16;16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h4,6-7,9-13H,2-3,5,8,14H2,1H3;1-9H,10-12,16H2