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

Systemtic Name: 1-hexyl-3-nitro-benzene; 2-(4-phenylmethoxyphenyl)ethanamine Openeye Name: 2-(4-benzyloxyphenyl)ethanamine; 1-hexyl-3-nitro-benzene CAS Name: 1-hexyl-3-nitrobenzene; 2-(4-phenylmethoxyphenyl)ethanamine IUPAC Name: 1-hexyl-3-nitrobenzene; 2-(4-phenylmethoxyphenyl)ethanamine Traditional Name: 2-(4-benzoxyphenyl)ethylamine; 1-hexyl-3-nitro-benzene Formula: C27H34N2O3 MolecularWeight: 434.57046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)[N+](=O)[O-].C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)[N+](=O)[O-].C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

InChI

InChI=1S/C15H17NO.C12H17NO2/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14;1-2-3-4-5-7-11-8-6-9-12(10-11)13(14)15/h1-9H,10-12,16H2;6,8-10H,2-5,7H2,1H3