N-methyl-1-(5-nitro-2-octoxy-phenyl)methanamine

Systemtic Name: N-methyl-1-(5-nitro-2-octoxy-phenyl)methanamine Openeye Name: N-methyl-1-(5-nitro-2-octoxy-phenyl)methanamine CAS Name: N-methyl-1-(5-nitro-2-octoxyphenyl)methanamine IUPAC Name: N-methyl-1-(5-nitro-2-octoxyphenyl)methanamine Traditional Name: methyl-(5-nitro-2-octoxy-benzyl)amine Formula: C16H26N2O3 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

InChI

InChI=1S/C16H26N2O3/c1-3-4-5-6-7-8-11-21-16-10-9-15(18(19)20)12-14(16)13-17-2/h9-10,12,17H,3-8,11,13H2,1-2H3