1-(1,3-dinitropropan-2-yl)-4-nitro-benzene

Systemtic Name: 1-(1,3-dinitropropan-2-yl)-4-nitro-benzene Openeye Name: 1-nitro-4-[2-nitro-1-(nitromethyl)ethyl]benzene CAS Name: 1-(1,3-dinitropropan-2-yl)-4-nitrobenzene IUPAC Name: 1-(1,3-dinitropropan-2-yl)-4-nitrobenzene Traditional Name: 1-nitro-4-[2-nitro-1-(nitromethyl)ethyl]benzene Formula: C9H9N3O6 MolecularWeight: 255.18426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(C[N+](=O)[O-])C[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(C[N+](=O)[O-])C[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O6/c13-10(14)5-8(6-11(15)16)7-1-3-9(4-2-7)12(17)18/h1-4,8H,5-6H2