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

Systemtic Name: N-methyl-1-(5-nitro-2-pentoxy-phenyl)methanamine Openeye Name: N-methyl-1-(5-nitro-2-pentoxy-phenyl)methanamine CAS Name: N-methyl-1-(5-nitro-2-pentoxyphenyl)methanamine IUPAC Name: N-methyl-1-(5-nitro-2-pentoxyphenyl)methanamine Traditional Name: (2-amoxy-5-nitro-benzyl)-methyl-amine Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)[N+](=O)[O-])CNC

InChI

InChI=1S/C13H20N2O3/c1-3-4-5-8-18-13-7-6-12(15(16)17)9-11(13)10-14-2/h6-7,9,14H,3-5,8,10H2,1-2H3