Methyl 2-(3-(4-nitrophenyl)isoxazole-5-carboxamido)acrylate
Basic information
- Standard SMILES
C=C(NC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)OC- InChIKey
VGCDUDRISDPCIH-UHFFFAOYSA-N- Molecular formula
- C14H11N3O6
- Average molar mass
- 317.25 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-(4-nitrophenyl)isoxazole-5-carboxamido)acrylate
- IUPAC
- methyl 2-[[3-(4-nitrophenyl)-1,2-oxazole-5-carbonyl]amino]prop-2-enoate
Names & synonyms
SCHEMBL2301500VGCDUDRISDPCIH-UHFFFAOYSA-NMethyl 2-(3-(4-nitrophenyl)isoxazole-5-carboxamido)acrylate
Database identifiers
- PubChem CID
- 67355652
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…