Basic information
- Standard SMILES
C=COC(=O)CCN(CC)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1- InChIKey
MYEKJKNNEDRREN-UHFFFAOYSA-N- Molecular formula
- C17H19N5O4S
- Average molar mass
- 389.4 g/mol
Names & identifiers
- Preferred name
- 3-{Ethyl-[3-methyl-4-(5-nitro-thiazol-2-ylazo)-phenyl]-amino}-propionic acid vinyl ester
- IUPAC
- ethenyl 3-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propanoate
Names & synonyms
SCHEMBL2070182SCHEMBL2070184MYEKJKNNEDRREN-UHFFFAOYSA-N3-{ethyl-[3-methyl-4-(5-nitro-thiazol-2-ylazo)-phenyl]-amino}-propionic acid vinyl ester
Database identifiers
- PubChem CID
- 59141515
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Linked notes
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