N-[[5-nitro-2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine

Systemtic Name: N-[[5-nitro-2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: N-[[5-nitro-2-(tetrahydrofuran-2-ylmethoxy)phenyl]methyl]ethanamine CAS Name: N-[[5-nitro-2-(2-oxolanylmethoxy)phenyl]methyl]ethanamine IUPAC Name: N-[[5-nitro-2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: ethyl-[5-nitro-2-(tetrahydrofurfuryloxy)benzyl]amine Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2CCCO2

Isomeric SMILES

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2CCCO2

InChI

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