2-{(E)-[(4-Methylphenyl)imino]methyl}-4-[2-(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
Basic information
- CAS
250274-28-3- Standard SMILES
Cc1ccc(N=Cc2cc(N=Nc3ccc([N+](=O)[O-])cc3)ccc2O)cc1- InChIKey
HSKRUKZJIOKEPY-UHFFFAOYSA-N- Molecular formula
- C20H16N4O3
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.12224039
Names & identifiers
- Preferred name
- 2-{(E)-[(4-Methylphenyl)imino]methyl}-4-[2-(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
- IUPAC
- 2-[(4-methylphenyl)iminomethyl]-4-[(4-nitrophenyl)diazenyl]phenol
Names & synonyms
250274-28-3DTXSID907807282-{(E)-[(4-Methylphenyl)imino]methyl}-4-[2-(4-nitrophenyl)hydrazinylidene]cyclohexa-2,5-dien-1-one
Database identifiers
- CAS
250274-28-3- PubChem CID
- 136239704
- DTXSID
DTXSID90780728- Nikkaji
- J1.174.964J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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