Basic information
- Standard SMILES
N#Cc1cccc(C(=O)CC(=O)Nc2cc(-n3cc(C#N)c(-c4ccccc4Cl)c3)ccc2[N+](=O)[O-])c1- InChIKey
OZSGLUMHUYPXTN-UHFFFAOYSA-N- Molecular formula
- C27H16ClN5O4
- Average molar mass
- 509.9 g/mol
Names & identifiers
- Preferred name
- N-{5-[3-(2-chloro-phenyl)-4-cyano-pyrrol-1-yl]-2-nitro-phenyl}-3-(3-cyano-phenyl)-3-oxo-propionamide
- IUPAC
- N-[5-[3-(2-chlorophenyl)-4-cyanopyrrol-1-yl]-2-nitrophenyl]-3-(3-cyanophenyl)-3-oxopropanamide
Names & synonyms
SCHEMBL6435015OZSGLUMHUYPXTN-UHFFFAOYSA-NN-{5-[3-(2-chloro-phenyl)-4-cyano-pyrrol-1-yl]-2-nitro-phenyl}-3-(3-cyano-phenyl)-3-oxo-propionamide
Database identifiers
- PubChem CID
- 18548747
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 967
Related reactions
3 records
Compound notes
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