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

Systemtic Name: 1-bromanyl-4-(1,3-dinitropropan-2-yl)benzene Openeye Name: 1-bromo-4-[2-nitro-1-(nitromethyl)ethyl]benzene CAS Name: 1-bromo-4-(1,3-dinitropropan-2-yl)benzene IUPAC Name: 1-bromo-4-(1,3-dinitropropan-2-yl)benzene Traditional Name: 1-bromo-4-[2-nitro-1-(nitromethyl)ethyl]benzene Formula: C9H9BrN2O4 MolecularWeight: 289.08276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9BrN2O4/c10-9-3-1-7(2-4-9)8(5-11(13)14)6-12(15)16/h1-4,8H,5-6H2