Basic information
- Standard SMILES
CC(c1ccc(NC=O)c([N+](=O)[O-])c1)n1ccnc1- InChIKey
DJCJANGDPXMRML-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
Names & identifiers
- Preferred name
- N-[4-[1-(1H-imidazol-1-yl)-ethyl]-2-nitrophenyl]formamide
- IUPAC
- N-[4-(1-imidazol-1-ylethyl)-2-nitrophenyl]formamide
Names & synonyms
SCHEMBL9664929DJCJANGDPXMRML-UHFFFAOYSA-NN-[4-[1-(1H-imidazol-1-yl)-ethyl]-2-nitrophenyl]formamide
Database identifiers
- PubChem CID
- 14518362
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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