Basic information
- Standard SMILES
CCCCCCCCCC(=O)OCN1C(=O)C(c2cn(C)c3ccccc23)=C(c2cn(C)c3cc([N+](=O)[O-])ccc23)C1=O- InChIKey
WDWLQLMLSLXGKU-UHFFFAOYSA-N- Molecular formula
- C33H36N4O6
- Average molar mass
- 584.7 g/mol
Names & identifiers
- Preferred name
- decanoic acid 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-pyrrol-1-ylmethyl ester
- IUPAC
- [3-(1-methylindol-3-yl)-4-(1-methyl-6-nitroindol-3-yl)-2,5-dioxopyrrol-1-yl]methyl decanoate
Names & synonyms
SCHEMBL6946616WDWLQLMLSLXGKU-UHFFFAOYSA-Ndecanoic acid 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-pyrrol-1-ylmethyl ester
Database identifiers
- PubChem CID
- 9851329
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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