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6-(naphthalen-2-ylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione
6-(naphthalen-2-ylmethyl)-1,4,8,11-tetrazacyclotetradecane-5,7-dione
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Descriptors Computed from Structure
Canonical SMILES:
C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=CC3=CC=CC=C3C=C2
Isomeric SMILES
C1CNCCNC(=O)C(C(=O)NCCNC1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C21H28N4O2/c26-20-19(15-16-6-7-17-4-1-2-5-18(17)14-16)21(27)25-13-11-23-9-3-8-22-10-12-24-20/h1-2,4-7,14,19,22-23H,3,8-13,15H2,(H,24,26)(H,25,27)
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- 2-[nitro-[[nitro(nitromethyl)amino]methyl]amino]ethanoic acid
- 2-[2-[methyl(nitro)amino]ethyl-nitro-amino]ethanoic acid
