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

Systemtic Name: 1-(3-methoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxy-benzene Openeye Name: 1-benzyloxy-2-nitro-4-pentyl-benzene; 1-(3-methoxyphenyl)ethanamine CAS Name: 1-(3-methoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxybenzene IUPAC Name: 1-(3-methoxyphenyl)ethanamine; 2-nitro-4-pentyl-1-phenylmethoxybenzene Traditional Name: 4-amyl-1-benzoxy-2-nitro-benzene; 1-(3-methoxyphenyl)ethylamine Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO3.C9H13NO/c1-2-3-5-8-15-11-12-18(17(13-15)19(20)21)22-14-16-9-6-4-7-10-16;1-7(10)8-4-3-5-9(6-8)11-2/h4,6-7,9-13H,2-3,5,8,14H2,1H3;3-7H,10H2,1-2H3