1-Methyl-beta-oxo-alpha-(p-nitrophenylcarbamoyl)-2-pyrrolpropionitrile

HCID 20285405
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Basic information

Standard SMILES
Cn1cccc1C(=O)C(C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIKey
FZXYYQOICORMKR-UHFFFAOYSA-N
Molecular formula
C15H12N4O4
Average molar mass
312.28 g/mol

Names & identifiers

Preferred name
1-Methyl-beta-oxo-alpha-(p-nitrophenylcarbamoyl)-2-pyrrolpropionitrile
IUPAC
2-cyano-3-(1-methylpyrrol-2-yl)-N-(4-nitrophenyl)-3-oxopropanamide

Names & synonyms

SCHEMBL11355067FZXYYQOICORMKR-UHFFFAOYSA-N1-methyl-beta-oxo-alpha-(p-nitrophenylcarbamoyl)-2-pyrrolpropionitrile

Database identifiers

PubChem CID
20285405

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
121 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

2 records
New reaction record

Linked notes

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1-Methyl-beta-oxo-alpha-(p-nitrophenylcarbamoyl)-2-pyrrolpropionitrile (HCID 20285405)｜Huagongshe