Basic information
- Standard SMILES
CCOC(=O)NC(=O)C(C#N)=NNc1ccc(C(C#N)c2ccc(Cl)cc2)c(OC)c1- InChIKey
FEEUEBMBVGIQRI-UHFFFAOYSA-N- Molecular formula
- C21H18ClN5O4
- Average molar mass
- 439.8 g/mol
Names & identifiers
- Preferred name
- Ethyl [2-[[4-[(4-chlorophenyl)cyanomethyl]-3-methoxyphenyl]hydrazono]-2-cyanoacetyl]carbamate
- IUPAC
- ethyl N-[2-[[4-[(4-chlorophenyl)-cyanomethyl]-3-methoxyphenyl]hydrazinylidene]-2-cyanoacetyl]carbamate
Names & synonyms
FEEUEBMBVGIQRI-UHFFFAOYSA-Nethyl [2-[[4-[(4-chlorophenyl)cyanomethyl]-3-methoxyphenyl]hydrazono]-2-cyanoacetyl]carbamate
Database identifiers
- PubChem CID
- 86742407
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 762
Related reactions
6 records
Compound notes
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