Ethyl 2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
Basic information
- CAS
876718-02-4- Standard SMILES
CCOC(=O)C1=C(C)N(CC(=O)OC)C(=O)C12C(C#N)=C(N)Oc1ccccc12- InChIKey
SFEAMWLQFZHBPV-UHFFFAOYSA-N- Molecular formula
- C20H19N3O6
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.12738533
Names & identifiers
- Preferred name
- Ethyl 2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
- IUPAC
- ethyl 2-amino-3-cyano-1'-(2-methoxy-2-oxoethyl)-2'-methyl-5'-oxospiro[chromene-4,4'-pyrrole]-3'-carboxylate
Names & synonyms
DTXSID401107009AKOS000530748876718-02-4Methyl 2-amino-3-cyano-4a(2)-(ethoxycarbonyl)-5a(2)-methyl-2a(2)-oxospiro[4H-1-benzopyran-4,3a(2)-[3H]pyrrole]-1a(2)(2a(2)H)-acetate
Database identifiers
- CAS
876718-02-4- PubChem CID
- 3159142
- DTXSID
DTXSID401107009
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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