Basic information
- Standard SMILES
O=C1/C(=C/c2c[nH]c3ccc([N+](=O)[O-])cc23)Oc2cc(O)ccc21- InChIKey
YNGJQUKUPDQCBI-BNCCVWRVSA-N- Molecular formula
- C17H10N2O5
- Average molar mass
- 322.27 g/mol
- Monoisotopic mass
- 322.05897142
Names & identifiers
- Preferred name
- (Z)-6-hydroxy-2-[(5-nitro-1H-indol-3-yl)methylene]benzofuran-3(2H)-one
- IUPAC
- (2Z)-6-hydroxy-2-[(5-nitro-1H-indol-3-yl)methylidene]-1-benzofuran-3-one
Names & synonyms
SCHEMBL14735209YNGJQUKUPDQCBI-BNCCVWRVSA-N(Z)-6-hydroxy-2-[(5-nitro-1H-indol-3-yl)methylene]benzofuran-3(2H)-one
Database identifiers
- PubChem CID
- 71278726
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 572
Related reactions
2 records
Linked notes
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