N-methyl-1-(3-nitro-4-pentoxy-phenyl)methanamine

Systemtic Name: N-methyl-1-(3-nitro-4-pentoxy-phenyl)methanamine Openeye Name: N-methyl-1-(3-nitro-4-pentoxy-phenyl)methanamine CAS Name: N-methyl-1-(3-nitro-4-pentoxyphenyl)methanamine IUPAC Name: N-methyl-1-(3-nitro-4-pentoxyphenyl)methanamine Traditional Name: (4-amoxy-3-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)CNC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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