Basic information
- Standard SMILES
N#Cc1cccc(C(=O)CC(=O)Nc2cc(-n3ccc(CO)c3)ccc2[N+](=O)[O-])c1- InChIKey
XEECUWCKQFECNQ-UHFFFAOYSA-N- Molecular formula
- C21H16N4O5
- Average molar mass
- 404.4 g/mol
Names & identifiers
- Preferred name
- 3-(3-Cyano-phenyl)-N-[5-(3-hydroxymethyl-pyrrol-1-yl)-2-nitro-phenyl]-3-oxo-propionamide
- IUPAC
- 3-(3-cyanophenyl)-N-[5-[3-(hydroxymethyl)pyrrol-1-yl]-2-nitrophenyl]-3-oxopropanamide
Names & synonyms
SCHEMBL6434624XEECUWCKQFECNQ-UHFFFAOYSA-N3-(3-Cyano-phenyl)-N-[5-(3-hydroxymethyl-pyrrol-1-yl)-2-nitro-phenyl]-3-oxo-propionamide
Database identifiers
- PubChem CID
- 18548865
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 699
Related reactions
3 records
Compound notes
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