Dimethyl 2,2'-(4-nitro-2-oxo-1H-benzimidazole-1,3-diyl)diacetate
Basic information
- Standard SMILES
COC(=O)Cn1c(=O)n(CC(=O)OC)c2c([N+](=O)[O-])cccc21- InChIKey
DSINEJHMYWDKEO-UHFFFAOYSA-N- Molecular formula
- C13H13N3O7
- Average molar mass
- 323.26 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2,2'-(4-nitro-2-oxo-1H-benzimidazole-1,3-diyl)diacetate
- IUPAC
- methyl 2-[3-(2-methoxy-2-oxoethyl)-4-nitro-2-oxobenzimidazol-1-yl]acetate
Names & synonyms
SCHEMBL260808DSINEJHMYWDKEO-UHFFFAOYSA-NDimethyl 2,2'-(4-nitro-2-oxo-1H-benzimidazole-1,3-diyl)diacetate
Database identifiers
- PubChem CID
- 66636623
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
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Related reactions
7 records
Compound notes
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