1-nitro-3-pentyl-benzene; 2-(4-phenylmethoxyphenyl)ethanamine

Systemtic Name: 1-nitro-3-pentyl-benzene; 2-(4-phenylmethoxyphenyl)ethanamine Openeye Name: 2-(4-benzyloxyphenyl)ethanamine; 1-nitro-3-pentyl-benzene CAS Name: 1-nitro-3-pentylbenzene; 2-(4-phenylmethoxyphenyl)ethanamine IUPAC Name: 1-nitro-3-pentylbenzene; 2-(4-phenylmethoxyphenyl)ethanamine Traditional Name: 1-amyl-3-nitro-benzene; 2-(4-benzoxyphenyl)ethylamine Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO.C11H15NO2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14;1-2-3-4-6-10-7-5-8-11(9-10)12(13)14/h1-9H,10-12,16H2;5,7-9H,2-4,6H2,1H3