Basic information
- Standard SMILES
CCC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=C(CCNC(C)=O)CC12- InChIKey
SBCSJWZNAJVJOB-UHFFFAOYSA-N- Molecular formula
- C20H23N3O6
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- [2-(Acetylamino)ethyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (4-nitrophenyl)methyl ester
- IUPAC
- (4-nitrophenyl)methyl 3-(2-acetamidoethyl)-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Names & synonyms
SBCSJWZNAJVJOB-UHFFFAOYSA-N[2 -(acetylamino)ethyl]-6-ethyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, (4-nitrophenyl)methyl ester
Database identifiers
- PubChem CID
- 86740673
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 720
Related reactions
1 records
Compound notes
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