1-nitro-4-[1,1,1-tris(bromanyl)-3-nitro-propan-2-yl]benzene

Systemtic Name: 1-nitro-4-[1,1,1-tris(bromanyl)-3-nitro-propan-2-yl]benzene Openeye Name: 1-nitro-4-[2,2,2-tribromo-1-(nitromethyl)ethyl]benzene CAS Name: 1-nitro-4-(1,1,1-tribromo-3-nitropropan-2-yl)benzene IUPAC Name: 1-nitro-4-(1,1,1-tribromo-3-nitropropan-2-yl)benzene Traditional Name: 1-nitro-4-[2,2,2-tribromo-1-(nitromethyl)ethyl]benzene Formula: C9H7Br3N2O4 MolecularWeight: 446.87488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7Br3N2O4/c10-9(11,12)8(5-13(15)16)6-1-3-7(4-2-6)14(17)18/h1-4,8H,5H2