Basic information
- Standard SMILES
C=CC1CC1(NC(=O)C1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(=O)OC(C)(C)C)C(=O)OCC- InChIKey
MFPNGSKEDSSMEI-UHFFFAOYSA-N- Molecular formula
- C25H31N3O9
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 517.20602957
Names & identifiers
- Preferred name
- 2-(1-Ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(4-nitro-benzoyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[(2-ethenyl-1-ethoxycarbonylcyclopropyl)carbamoyl]-4-(4-nitrobenzoyl)oxypyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL995477MFPNGSKEDSSMEI-UHFFFAOYSA-N2-(1-Ethoxycarbonyl-2-vinyl-cyclopropylcarbamoyl)-4-(4-nitro-benzoyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester2-(1-Ethoxycarbonyl-2-vinyl-cyclopropylcarbarnoyl)-4-(4-nitro-benzoyloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66870738
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 933
Related reactions
23 records
Compound notes
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