N-methyl-1-[3-nitro-4-(oxan-2-ylmethoxy)phenyl]methanamine

Systemtic Name: N-methyl-1-[3-nitro-4-(oxan-2-ylmethoxy)phenyl]methanamine Openeye Name: N-methyl-1-[3-nitro-4-(tetrahydropyran-2-ylmethoxy)phenyl]methanamine CAS Name: N-methyl-1-[3-nitro-4-(2-oxanylmethoxy)phenyl]methanamine IUPAC Name: N-methyl-1-[3-nitro-4-(oxan-2-ylmethoxy)phenyl]methanamine Traditional Name: methyl-[3-nitro-4-(tetrahydropyran-2-ylmethoxy)benzyl]amine Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC(=C(C=C1)OCC2CCCCO2)[N+](=O)[O-]

Isomeric SMILES

CNCC1=CC(=C(C=C1)OCC2CCCCO2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4/c1-15-9-11-5-6-14(13(8-11)16(17)18)20-10-12-4-2-3-7-19-12/h5-6,8,12,15H,2-4,7,9-10H2,1H3