4H-Imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-((4-nitrophenyl)methylene)-
Basic information
- CAS
78311-92-9- Standard SMILES
COc1cc([N+](=O)[O-])ccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)N=C1C- InChIKey
NANXUCILRMWKJL-DHDCSXOGSA-N- Molecular formula
- C18H14N4O6
- Average molar mass
- 382.3 g/mol
- Monoisotopic mass
- 382.09133418
Names & identifiers
- Preferred name
- 4H-Imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-((4-nitrophenyl)methylene)-
- IUPAC
- (5Z)-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-[(4-nitrophenyl)methylidene]imidazol-4-one
Names & synonyms
4H-Imidazol-4-one, 3,5-dihydro-3-(2-methoxy-4-nitrophenyl)-2-methyl-5-((4-nitrophenyl)methylene)-78311-92-9RefChem:1071946
Database identifiers
- CAS
78311-92-9- PubChem CID
- 6447597
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 702
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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