2-Amino-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Basic information
- CAS
177028-91-0- Standard SMILES
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc([N+](=O)[O-])cc1- InChIKey
MVHFYQLFOQXQHS-UHFFFAOYSA-N- Molecular formula
- C19H11N3O5
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 361.06987046
Names & identifiers
- Preferred name
- 2-Amino-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
- IUPAC
- 2-amino-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
- English name
- 2-amino-4-{4-nitrophenyl}-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile
- Molecular formula
- C19H11N3O5
- Molecular weight
- 361.31
Names & synonyms
177028-91-02-Amino-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile2-Amino-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano(3,2-c)(1)benzopyran-3-carbonitrileRefChem:2555112-Amino-4-(4-nitrophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrile2-amino-4-(4-nitrophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile2-amino-4-{4-nitrophenyl}-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carbonitrileMVHFYQLFOQXQHS-UHFFFAOYSA-NOprea1_402130Oprea1_448454CHEMBL3828625DTXSID901135899
Show more names
4H,5H-Pyrano[3,2-c][1]benzopyran-3-carbonitrile, 2-amino-4-(4-nitrophenyl)-5-oxo-
STK328029AKOS000573901AKOS016348924WAY-297112ST097769AE-848/36646045SR-01000408470SR-01000408470-1
Database identifiers
- CAS
177028-91-0- PubChem CID
- 617359
- DTXSID
DTXSID901135899- ChEMBL
CHEMBL3828625- Nikkaji
- J735.725G
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 779
Physicochemical properties
- Melting point
- 250 · 250-252 °C(Solv: ethyl ether (60-29-7); acetone (67-64-1))
- Boiling point
- 710.7 · 710.7±60.0 °C(Predicted)
- Density
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 2.97 · 2.97±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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