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

Systemtic Name: N-[[5-nitro-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine Openeye Name: N-[[5-nitro-2-(tetrahydropyran-2-ylmethoxy)phenyl]methyl]ethanamine CAS Name: N-[[5-nitro-2-(2-oxanylmethoxy)phenyl]methyl]ethanamine IUPAC Name: N-[[5-nitro-2-(oxan-2-ylmethoxy)phenyl]methyl]ethanamine Traditional Name: ethyl-[5-nitro-2-(tetrahydropyran-2-ylmethoxy)benzyl]amine Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2CCCCO2

Isomeric SMILES

CCNCC1=C(C=CC(=C1)[N+](=O)[O-])OCC2CCCCO2

InChI

InChI=1S/C15H22N2O4/c1-2-16-10-12-9-13(17(18)19)6-7-15(12)21-11-14-5-3-4-8-20-14/h6-7,9,14,16H,2-5,8,10-11H2,1H3