Basic information
- Standard SMILES
CC(=O)NCCc1c[nH]c2ccc(OC(=O)Oc3ccc([N+](=O)[O-])cc3)cc12- InChIKey
RZKWJCPSJVYJCD-UHFFFAOYSA-N- Molecular formula
- C19H17N3O6
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.11173527
Names & identifiers
- Preferred name
- 3-[2-(acetylamino)ethyl]-1H-indol-5-yl 4-nitrophenyl carbonate
- IUPAC
- [3-(2-acetamidoethyl)-1H-indol-5-yl] (4-nitrophenyl) carbonate
Names & synonyms
SCHEMBL14128042RZKWJCPSJVYJCD-UHFFFAOYSA-N3-[2-(acetylamino)ethyl]-1H-indol-5-yl 4-nitrophenyl carbonate
Database identifiers
- PubChem CID
- 86712985
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 573
Related reactions
1 records
Compound notes
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