1-Ethyl-7-methyl-4-(3-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Basic information
- CAS
1024249-64-6- Standard SMILES
CCC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)C12- InChIKey
WMMXFSVJARKOOK-UHFFFAOYSA-N- Molecular formula
- C30H24N2O5
- Average molar mass
- 492.5 g/mol
- Monoisotopic mass
- 492.16852187
Names & identifiers
- Preferred name
- 1-Ethyl-7-methyl-4-(3-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
- IUPAC
- 1-ethyl-7-methyl-4-(3-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione
Names & synonyms
1024249-64-61-Ethyl-7-methyl-4-(3-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trioneAGN-PC-0593YMDTXSID80402826AKOS024286931ST097553AE-641/097790551-ethyl-4-{3-nitrophenyl}-7-methyl-8,9-diphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione4-Ethyl-7-methyl-2-(3-nitrophenyl)-5,6-diphenyl-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3,8(2H)-trione7-ethyl-1-methyl-4-(3-nitrophenyl)-8,9-diphenyl-4-azatricyclo[5.2.1.0<2,6>]dec -8-ene-3,5,10-trione
Database identifiers
- CAS
1024249-64-6- PubChem CID
- 4396269
- DTXSID
DTXSID80402826
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,050
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