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

Systemtic Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]butan-1-amine Openeye Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]butan-1-amine CAS Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]-1-butanamine IUPAC Name: N-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]butan-1-amine Traditional Name: butyl-[[(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:

CCCCNCC1OCC2=C(CO1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O4/c1-2-3-6-15-8-14-19-9-11-4-5-13(16(17)18)7-12(11)10-20-14/h4-5,7,14-15H,2-3,6,8-10H2,1H3/t14-/m0/s1