Basic information
- Standard SMILES
CCOc1c(Nc2ccc(C#N)cc2CC)c(=O)c1=O- InChIKey
OGJHZARZOMVMJD-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
Names & identifiers
- Preferred name
- 4-(2-Ethoxy-3,4-dioxo-cyclobut-1-enylamino)-3-ethylbenzonitrile
- IUPAC
- 4-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-3-ethylbenzonitrile
Names & synonyms
SCHEMBL4407734OGJHZARZOMVMJD-UHFFFAOYSA-N4-(2-ethoxy-3,4-dioxo-cyclobut-1-enylamino)-3-ethylbenzonitrile4-(3,4-Dioxo-2-ethoxy-cyclobut-1-enylamino)-3-ethyl-benzonitrile4-(3,4-dioxo-2-ethoxy-cyclobut-1-enylamino)-3-ethylbenzonitrile
Database identifiers
- PubChem CID
- 19972918
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 500
Related reactions
4 records
Compound notes
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