1-bromanyl-4-[(2R,3R)-1,3-dinitropentan-2-yl]benzene

Systemtic Name: 1-bromanyl-4-[(2R,3R)-1,3-dinitropentan-2-yl]benzene Openeye Name: 1-bromo-4-[(1R,2R)-2-nitro-1-(nitromethyl)butyl]benzene CAS Name: 1-bromo-4-[(2R,3R)-1,3-dinitropentan-2-yl]benzene IUPAC Name: 1-bromo-4-[(2R,3R)-1,3-dinitropentan-2-yl]benzene Traditional Name: 1-bromo-4-[(1R,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=C(C=C1)Br)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C11H13BrN2O4/c1-2-11(14(17)18)10(7-13(15)16)8-3-5-9(12)6-4-8/h3-6,10-11H,2,7H2,1H3/t10-,11+/m0/s1