(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl furan-2-carboxylate
AlkaPlorer ID: AK407019
Synonym: None
IUPAC Name: [2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] furan-2-carboxylate
Structure
SMILES: O=C(OC1=CC=C2C(=O)C(=CC3=CC([N+](=O)[O-])=CC=C3)OC2=C1)C1=CC=CO1
InChI: InChI=1S/C20H11NO7/c22-19-15-7-6-14(27-20(23)16-5-2-8-26-16)11-17(15)28-18(19)10-12-3-1-4-13(9-12)21(24)25/h1-11H
InChIKey: HZRJKTPMWAAOBZ-UHFFFAOYSA-N
Reference
Bisindigotin, a TCDD Antagonist from the Chinese Medicinal Herb <i>Isatis indigotica</i>
PubChem CID: 3937803
Source
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Properties Information
Molecule Weight: 377.3080000000001
TPSA？: 108.88
MolLogP？: 4.023200000000003
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 4
Activities Information
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