(1R,5S)-5,8,8-trimethyl-4-oxobicyclo[3.2.1]oct-2-en-2-yl 4-nitrobenzoate
AlkaPlorer ID: AK354094
Synonym: None
IUPAC Name: (5,8,8-trimethyl-4-oxo-2-bicyclo[3.2.1]oct-2-enyl) 4-nitrobenzoate
Structure
SMILES: CC12CCC(C(OC(=O)C3=CC=C([N+](=O)[O-])C=C3)=CC1=O)C2(C)C
InChI: InChI=1S/C18H19NO5/c1-17(2)13-8-9-18(17,3)15(20)10-14(13)24-16(21)11-4-6-12(7-5-11)19(22)23/h4-7,10,13H,8-9H2,1-3H3
InChIKey: CHVRDANIMSLISG-UHFFFAOYSA-N
Reference
PubChem CID: 2750843
Source
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Properties Information
Molecule Weight: 329.3520000000001
TPSA？: 86.50999999999999
MolLogP？: 3.660700000000002
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
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