Basic information
- CAS
5312-49-2- Standard SMILES
N#Cc1ccc(N=Cc2ccccc2[N+](=O)[O-])cc1- InChIKey
BANZPFMIBRSFOC-UHFFFAOYSA-N- Molecular formula
- C14H9N3O2
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.06947654
Names & identifiers
- Preferred name
- 4-[(2-Nitrophenyl)methylideneamino]benzonitrile
- IUPAC
- 4-[(2-nitrophenyl)methylideneamino]benzonitrile
Names & synonyms
5312-49-24-[(2-nitrophenyl)methylideneamino]benzonitrile4-(2-nitrobenzylideneamino)benzonitrileSCHEMBL2138306SCHEMBL2138308DTXSID30346928BANZPFMIBRSFOC-MHWRWJLKSA-NBANZPFMIBRSFOC-UHFFFAOYSA-NSTK052863AKOS000483884Benzonitrile, 4-(2-niitrobenzylidenamino)-ST45030908
Show more names
4-{(E)-[(2-Nitrophenyl)methylidene]amino}benzonitrile4-{[(E)-(2-nitrophenyl)methylidene]amino}benzonitrile4-([(E)-(2-Nitrophenyl)methylidene]amino)benzonitrile #4-[(1E)-2-(2-nitrophenyl)-1-azavinyl]benzenecarbonitrile
Database identifiers
- CAS
5312-49-2- PubChem CID
- 616463
- DTXSID
DTXSID30346928- Nikkaji
- J3.601.239K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
2 records
Compound notes
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