Basic information
- CAS
200626-88-6- Standard SMILES
O=c1[nH]c(O)c(C=Nc2cccc([N+](=O)[O-])c2)c(=O)[nH]1- InChIKey
BBOFDRSXWBTMGP-UHFFFAOYSA-N- Molecular formula
- C11H8N4O5
- Average molar mass
- 276.2 g/mol
- Monoisotopic mass
- 276.04946937
Names & identifiers
- Preferred name
- 5-[(3-Nitroanilino)methylene]barbituric acid
- IUPAC
- 6-hydroxy-5-[(3-nitrophenyl)iminomethyl]-1H-pyrimidine-2,4-dione
Names & synonyms
ST509863455-[(3-Nitroanilino)methylene]barbituric acid5-[(3-nitroanilino)methylidene]-1,3-diazinane-2,4,6-trione200626-88-6DTXSID10418814GOIJOBKXZHWXDK-UHFFFAOYSA-NAKOS024357819AG-205/076770515-({3-nitroanilino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione5-[(3-Nitroanilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione #5-{[(3-nitrophenyl)amino]methylene}-1,3-dihydropyrimidine-2,4,6-trione
Database identifiers
- CAS
200626-88-6- PubChem CID
- 623863
- DTXSID
DTXSID10418814
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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