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

Systemtic Name: 4-hexyl-2-nitro-1-phenylmethoxy-benzene; 2-(4-phenylmethoxyphenyl)ethanamine Openeye Name: 1-benzyloxy-4-hexyl-2-nitro-benzene; 2-(4-benzyloxyphenyl)ethanamine CAS Name: 4-hexyl-2-nitro-1-phenylmethoxybenzene; 2-(4-phenylmethoxyphenyl)ethanamine IUPAC Name: 4-hexyl-2-nitro-1-phenylmethoxybenzene; 2-(4-phenylmethoxyphenyl)ethanamine Traditional Name: 1-benzoxy-4-hexyl-2-nitro-benzene; 2-(4-benzoxyphenyl)ethylamine Formula: C34H40N2O4 MolecularWeight: 540.6924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)[N+](=O)[O-].C1=CC=C(C=C1)COC2=CC=C(C=C2)CCN

Isomeric SMILES

CCCCCCC1=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/C19H23NO3.C15H17NO/c1-2-3-4-6-9-16-12-13-19(18(14-16)20(21)22)23-15-17-10-7-5-8-11-17;16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h5,7-8,10-14H,2-4,6,9,15H2,1H3;1-9H,10-12,16H2