3-(2-Ethoxycarbonyl-3-oxobutyl)-2-methyl-7-nitrobenzo[b]furan

HCID 70201487
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Basic information

Standard SMILES
CCOC(=O)C(Cc1c(C)oc2c([N+](=O)[O-])cccc12)C(C)=O
InChIKey
IUJPCBWKWRGPBZ-UHFFFAOYSA-N
Molecular formula
C16H17NO6
Average molar mass
319.31 g/mol
Monoisotopic mass
319.10558726

Names & identifiers

Preferred name
3-(2-Ethoxycarbonyl-3-oxobutyl)-2-methyl-7-nitrobenzo[b]furan
IUPAC
ethyl 2-[(2-methyl-7-nitro-1-benzofuran-3-yl)methyl]-3-oxobutanoate

Names & synonyms

SCHEMBL7831949IUJPCBWKWRGPBZ-UHFFFAOYSA-N3-(2-ethoxycarbonyl-3-oxobutyl)-2-methyl-7-nitrobenzo[b]furan

Database identifiers

PubChem CID
70201487

Properties

Computed structural properties

XLogP
3
Topological polar surface area
102 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
23

Related reactions

4 records
New reaction record

Compound notes

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