Ethyl 1-methyl-4-nitro-3-methoxypyrrole-2-carboxylate

HCID 9877941
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Basic information

Standard SMILES
CCOC(=O)c1c(OC)c([N+](=O)[O-])cn1C
InChIKey
BFTHXZKRUYELAD-UHFFFAOYSA-N
Molecular formula
C9H12N2O5
Average molar mass
228.2 g/mol
Monoisotopic mass
228.07462149

Names & identifiers

Preferred name
Ethyl 1-methyl-4-nitro-3-methoxypyrrole-2-carboxylate
IUPAC
ethyl 3-methoxy-1-methyl-4-nitropyrrole-2-carboxylate

Names & synonyms

SCHEMBL3285555BFTHXZKRUYELAD-UHFFFAOYSA-NEthyl 1-methyl-4-nitro-3-methoxypyrrole-2-carboxylateethyl 3-methoxy-1-methyl-4-nitro-1H-pyrrole-2-carboxylate

Database identifiers

PubChem CID
9877941

Properties

Computed structural properties

XLogP
1
Topological polar surface area
86.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
16

Related reactions

2 records
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Compound notes

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