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diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium

diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium

Systemtic Name:diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium
Openeye Name:diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium
CAS Name:diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium
IUPAC Name:diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]azanium
Traditional Name:diethyl-[[(3S)-7-nitro-1,5-dihydro-2,4-benzodioxepin-3-yl]methyl]ammonium
Formula: C14H21N2O4+
MolecularWeight: 281.32754
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

CC[NH+](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/p+1/t14-/m0/s1


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