1-bromanyl-2-[(2S,3R)-1,3-dinitropentan-2-yl]benzene

Systemtic Name: 1-bromanyl-2-[(2S,3R)-1,3-dinitropentan-2-yl]benzene Openeye Name: 1-bromo-2-[(1S,2R)-2-nitro-1-(nitromethyl)butyl]benzene CAS Name: 1-bromo-2-[(2S,3R)-1,3-dinitropentan-2-yl]benzene IUPAC Name: 1-bromo-2-[(2S,3R)-1,3-dinitropentan-2-yl]benzene Traditional Name: 1-bromo-2-[(1S,2R)-2-nitro-1-(nitromethyl)butyl]benzene Formula: C11H13BrN2O4 MolecularWeight: 317.13592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C[N+](=O)[O-])C1=CC=CC=C1Br)[N+](=O)[O-]

Isomeric SMILES

CC[C@H]([C@H](C[N+](=O)[O-])C1=CC=CC=C1Br)[N+](=O)[O-]

InChI

InChI=1S/C11H13BrN2O4/c1-2-11(14(17)18)9(7-13(15)16)8-5-3-4-6-10(8)12/h3-6,9,11H,2,7H2,1H3/t9-,11-/m1/s1