Basic information
- Standard SMILES
CCOc1c(Nc2c(O)cccc2C#N)c(=O)c1=O- InChIKey
DWLWNPZFYOWMBD-UHFFFAOYSA-N- Molecular formula
- C13H10N2O4
- Average molar mass
- 258.23 g/mol
- Monoisotopic mass
- 258.0640568
Names & identifiers
- Preferred name
- 3-Ethoxy-4-(2-hydroxy-6-cyanophenyl)amino-3-cyclobutene-1,2-dione
- IUPAC
- 2-[(2-ethoxy-3,4-dioxocyclobuten-1-yl)amino]-3-hydroxybenzonitrile
Names & synonyms
SCHEMBL8611648DWLWNPZFYOWMBD-UHFFFAOYSA-N3-ethoxy-4-(2-hydroxy-6-cyanophenyl)amino-3-cyclobutene-1,2-dione
Database identifiers
- PubChem CID
- 11118724
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 488
Related reactions
5 records
Compound notes
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