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

Systemtic Name: 1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one Openeye Name: 1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one CAS Name: 1,4-dimethyl-5-nitro-2,3,6-triphenyl-7-bicyclo[2.2.1]hept-2-enone IUPAC Name: 1,4-dimethyl-5-nitro-2,3,6-triphenylbicyclo[2.2.1]hept-2-en-7-one Traditional Name: 1,4-dimethyl-5-nitro-2,3,6-triphenyl-bicyclo[2.2.1]hept-2-en-7-one Formula: C27H23NO3 MolecularWeight: 409.47642

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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-])C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H23NO3/c1-26-21(18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27(2,25(26)29)24(28(30)31)23(26)20-16-10-5-11-17-20/h3-17,23-24H,1-2H3