N-ethyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ethanamine

Systemtic Name: N-ethyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ethanamine Openeye Name: N-ethyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ethanamine CAS Name: N-ethyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ethanamine IUPAC Name: N-ethyl-N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ethanamine Traditional Name: diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]amine Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C[C@H]1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O4/c1-3-15(4-2)8-14-19-9-11-5-6-13(16(17)18)7-12(11)10-20-14/h5-7,14H,3-4,8-10H2,1-2H3/t14-/m0/s1