Basic information
- Standard SMILES
N#Cc1cc(F)cc(-c2cc([N+](=O)[O-])c3c(c2)C2(CCCCC2)C(=O)N3)c1- InChIKey
RIARMHNOEDMKAH-UHFFFAOYSA-N- Molecular formula
- C20H16FN3O3
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 3-(7'-nitro-1', 2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile
- IUPAC
- 3-fluoro-5-(7-nitro-2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)benzonitrile
Names & synonyms
SCHEMBL3518449RIARMHNOEDMKAH-UHFFFAOYSA-N3-(7'-nitro-1', 2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile3-(7'-nitro-1',2'-dihydro-2'-oxospiro-[cyclohexane-1,3'-[3H]indol]-5'-yl)-5-fluorobenzonitrile
Database identifiers
- PubChem CID
- 22019324
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 663
Related reactions
9 records
Compound notes
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