Basic information
- Standard SMILES
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[NH2+]1)C(=O)OCC.[Cl-]- InChIKey
YZNGLCDCMOTHAV-NZRMZANLSA-N- Molecular formula
- C20H24ClN3O7
- Average molar mass
- 453.9 g/mol
- Monoisotopic mass
- 453.1302778
Names & identifiers
- Preferred name
- (2S,4R)-2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-(4-nitrobenzoyloxy)pyrrolidinium chloride
- IUPAC
- [(3R,5S)-5-[[(1R,2S)-2-ethenyl-1-ethoxycarbonylcyclopropyl]carbamoyl]pyrrolidin-1-ium-3-yl] 4-nitrobenzoate chloride
Names & synonyms
YZNGLCDCMOTHAV-NZRMZANLSA-N(2S,4R)-2-((1R,2S)-1-(ethoxycarbonyl)-2-vinylcyclopropylcarbamoyl)-4-(4-nitrobenzoyloxy)pyrrolidinium chloride
Database identifiers
- PubChem CID
- 86664339
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 714
Related reactions
2 records
Compound notes
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