5',5'-Dimethyl-6-nitro-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-one
Basic information
- CAS
4938-53-8- Standard SMILES
CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cc([N+](=O)[O-])ccc1O2- InChIKey
IOOQJTUJMJYIHI-UHFFFAOYSA-N- Molecular formula
- C19H16N2O5
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.10592162
Names & identifiers
- Preferred name
- 5',5'-Dimethyl-6-nitro-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-one
- IUPAC
- 5,5-dimethyl-6'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one
Names & synonyms
NSC6924024938-53-8Oprea1_227854Oprea1_441043CHEMBL1998107DTXSID909642235',5'-dimethyl-6-nitro-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-oneNSC-692402NCI60_0331605',5'-Dimethyl-6-nitro-3'-phenylspiro[[1]benzopyran-2,4'-[1,3]oxazolidin]-2'-one5',5'-Dimethyl-6-nitro-3'-phenylspiro[1-benzopyran-2,4'-[1,3]oxazolidin]-2'-oneSpiro[2H-1-benzopyran-2,4'-oxazolidin]-2'-one, 5',5'-dimethyl-6-nitro-3'-phenyl-
Database identifiers
- CAS
4938-53-8- PubChem CID
- 392261
- DTXSID
DTXSID90964223- ChEMBL
CHEMBL1998107
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 84.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 622
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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