Basic information
- Standard SMILES
COc1cc(C(=O)/C=C/c2c[nH]c3ccc([N+](=O)[O-])cc23)cc(OC)c1OC- InChIKey
PWCROIQGMQALNR-QPJJXVBHSA-N- Molecular formula
- C20H18N2O6
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.1164863
Names & identifiers
- Preferred name
- (E)-3-(5-Nitroindol-3-yl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
- IUPAC
- (E)-3-(5-nitro-1H-indol-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Names & synonyms
SCHEMBL7835913PWCROIQGMQALNR-QPJJXVBHSA-N(E)-3-(5-Nitroindol-3-yl)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
Database identifiers
- PubChem CID
- 21850180
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
1 records
Compound notes
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