Basic information
- Standard SMILES
COC(=O)CC1CNc2cccc([N+](=O)[O-])c21- InChIKey
FQQXZAAKEQRLBD-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
Names & identifiers
- Preferred name
- methyl (4-nitro-2,3-dihydro-1H-indol-3-yl)-acetate
- IUPAC
- methyl 2-(4-nitro-2,3-dihydro-1H-indol-3-yl)acetate
Names & synonyms
161959-05-3methyl (4-nitro-2,3-dihydro-1H-indol-3-yl)-acetateSCHEMBL261354FQQXZAAKEQRLBD-UHFFFAOYSA-NDA-09645(+/-)-Methyl (4-nitro-2,3-dihydro-1H-indol-3-yl)acetate
Database identifiers
- PubChem CID
- 10243182
- Nikkaji
- J639.181H
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
13 records
Compound notes
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