Basic information
- Standard SMILES
C[C@H]1CC(c2ccncc2[N+](=O)[O-])=C[C@@H](NC(=O)OC(C)(C)C)[C@H]1O- InChIKey
OOIIQSMWFHFNAM-ZBINZKHDSA-N- Molecular formula
- C17H23N3O5
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.16377084
Names & identifiers
- Preferred name
- (+/-)-Tert-butyl (1R,5S,6S)-6-hydroxy-5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate
- IUPAC
- tert-butyl N-[(1R,5S,6S)-6-hydroxy-5-methyl-3-(3-nitro-4-pyridinyl)cyclohex-2-en-1-yl]carbamate
Names & synonyms
SCHEMBL15589037OOIIQSMWFHFNAM-ZBINZKHDSA-N(+/-)-tert-butyl ((1R,5S,65)-6-hydroxy-5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-en-1-yl)carbamate(+/-)-tert-butyl ((1R,5S,6S)-6-hydroxy-5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-en-1-yl)carbamate(+/-)-Tert-butyl (1R,5 S,65)-6-hydroxy-5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate(+/-)-Tert-butyl (1R,5S,65)-6-hydroxy-5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate(+/-)-Tert-butyl (1R,5S,6S)-6-hydroxy-5-methyl-3-(3-nitropyridin-4-yl)cyclohex-2-enylcarbamate
Database identifiers
- PubChem CID
- 86705242
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
12 records
Compound notes
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