[3,7-dinitro-1-(phenylcarbonyl)-1,2,3,4-tetrazocan-5-yl]-phenyl-methanone

Systemtic Name: [3,7-dinitro-1-(phenylcarbonyl)-1,2,3,4-tetrazocan-5-yl]-phenyl-methanone Openeye Name: (1-benzoyl-3,7-dinitro-tetrazocan-5-yl)-phenyl-methanone CAS Name: (1-benzoyl-3,7-dinitro-5-tetrazocanyl)-phenylmethanone IUPAC Name: (1-benzoyl-3,7-dinitrotetrazocan-5-yl)-phenylmethanone Traditional Name: (1-benzoyl-3,7-dinitro-tetrazocan-5-yl)-phenyl-methanone Formula: C18H18N6O6 MolecularWeight: 414.37212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(NN(NC1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(CN(NN(NC1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O6/c25-17(13-7-3-1-4-8-13)16-11-15(22(27)28)12-21(20-23(19-16)24(29)30)18(26)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2