(Z)-1,3-Dihydro-4-[(4-hydroxy-tetrahydro-pyran-4-yl)ethynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2H-indol-2-one

HCID 18366111
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Basic information

Standard SMILES
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(C#CC3(O)CCOCC3)c21
InChIKey
XIQQIKISBFFCPM-OWBHPGMISA-N
Molecular formula
C21H19N3O6
Average molar mass
409.4 g/mol
Monoisotopic mass
409.12738533

Names & identifiers

Preferred name
(Z)-1,3-Dihydro-4-[(4-hydroxy-tetrahydro-pyran-4-yl)ethynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2H-indol-2-one
IUPAC
(3Z)-4-[2-(4-hydroxyoxan-4-yl)ethynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylidene]-5-nitro-1H-indol-2-one

Names & synonyms

SCHEMBL6966208XIQQIKISBFFCPM-OWBHPGMISA-N(Z)-1,3-Dihydro-4-[(4-hydroxy-tetrahydro-pyran-4-yl)ethynyl]-3-[(3-methoxy-1H-pyrrol-2-yl)methylene]-5-nitro-2H-indol-2-one

Database identifiers

PubChem CID
18366111

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
129 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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