N-methyl-1-[5-nitro-2-(oxan-2-ylmethoxy)phenyl]methanamine

Systemtic Name: N-methyl-1-[5-nitro-2-(oxan-2-ylmethoxy)phenyl]methanamine Openeye Name: N-methyl-1-[5-nitro-2-(tetrahydropyran-2-ylmethoxy)phenyl]methanamine CAS Name: N-methyl-1-[5-nitro-2-(2-oxanylmethoxy)phenyl]methanamine IUPAC Name: N-methyl-1-[5-nitro-2-(oxan-2-ylmethoxy)phenyl]methanamine Traditional Name: methyl-[5-nitro-2-(tetrahydropyran-2-ylmethoxy)benzyl]amine Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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