Methyl (4-nitro-1H-indol-3-yl)(oxo)acetate

HCID 10243717
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Basic information

Standard SMILES
COC(=O)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12
InChIKey
GEFYSMKUMUGKKM-UHFFFAOYSA-N
Molecular formula
C11H8N2O5
Average molar mass
248.19 g/mol

Names & identifiers

Preferred name
Methyl (4-nitro-1H-indol-3-yl)(oxo)acetate
IUPAC
methyl 2-(4-nitro-1H-indol-3-yl)-2-oxoacetate

Names & synonyms

115118-95-1SCHEMBL259817GEFYSMKUMUGKKM-UHFFFAOYSA-NDA-15246Methyl (4-nitro-1H-indol-3-yl)(oxo)acetatemethyl (4-nitro-1H-indol-3-yl)-oxo-acetate

Database identifiers

PubChem CID
10243717

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
18

Related reactions

15 records
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Compound notes

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