2-[4-bromanyl-2-(3-bromanyl-2-oxidanyl-propyl)-3-methoxy-6-nitro-phenyl]ethanenitrile

Systemtic Name: 2-[4-bromanyl-2-(3-bromanyl-2-oxidanyl-propyl)-3-methoxy-6-nitro-phenyl]ethanenitrile Openeye Name: 2-[4-bromo-2-(3-bromo-2-hydroxy-propyl)-3-methoxy-6-nitro-phenyl]acetonitrile CAS Name: 2-[4-bromo-2-(3-bromo-2-hydroxypropyl)-3-methoxy-6-nitrophenyl]acetonitrile IUPAC Name: 2-[4-bromo-2-(3-bromo-2-hydroxypropyl)-3-methoxy-6-nitrophenyl]acetonitrile Traditional Name: 2-[4-bromo-2-(3-bromo-2-hydroxy-propyl)-3-methoxy-6-nitro-phenyl]acetonitrile Formula: C12H12Br2N2O4 MolecularWeight: 408.04268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1CC(CBr)O)CC#N)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C(=C1CC(CBr)O)CC#N)[N+](=O)[O-])Br

InChI

InChI=1S/C12H12Br2N2O4/c1-20-12-9(4-7(17)6-13)8(2-3-15)11(16(18)19)5-10(12)14/h5,7,17H,2,4,6H2,1H3