5-bromanyl-1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one

Systemtic Name: 5-bromanyl-1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one Openeye Name: 5-bromo-1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one CAS Name: 5-bromo-1,4-dimethyl-5-nitro-2,3,6-triphenyl-7-bicyclo[2.2.1]hept-2-enone IUPAC Name: 5-bromo-1,4-dimethyl-5-nitro-2,3,6-triphenylbicyclo[2.2.1]hept-2-en-7-one Traditional Name: 5-bromo-1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one Formula: C27H22BrNO3 MolecularWeight: 488.37248

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(C1=O)(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C)([N+](=O)[O-])Br)C5=CC=CC=C5

Isomeric SMILES

CC12C(C(C(C1=O)(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C)([N+](=O)[O-])Br)C5=CC=CC=C5

InChI

InChI=1S/C27H22BrNO3/c1-25-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)26(2,24(25)30)27(28,29(31)32)23(25)20-16-10-5-11-17-20/h3-17,23H,1-2H3