Basic information
- CAS
88071-60-7- Standard SMILES
Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)oc1ccccc12- InChIKey
HBJKZPQTRSCJGV-UHFFFAOYSA-N- Molecular formula
- C17H10N4O4
- Average molar mass
- 334.28 g/mol
- Monoisotopic mass
- 334.07020481
Names & identifiers
- Preferred name
- 5H-[1]Benzopyrano[4,3-d]pyrimidin-5-one, 4-amino-2-(4-nitrophenyl)-
- IUPAC
- 4-amino-2-(4-nitrophenyl)chromeno[4,3-d]pyrimidin-5-one
Names & synonyms
4-amino-2-(4-nitrophenyl)-5H-chromeno[4,3-d]pyrimidin-5-one88071-60-75H-[1]Benzopyrano[4,3-d]pyrimidin-5-one, 4-amino-2-(4-nitrophenyl)-Oprea1_011966DTXSID70359193STK795458AKOS0056114194-Amino-2-(4-nitrophenyl)-5H-[1]benzopyrano[4,3-d]pyrimidin-5-one
Database identifiers
- CAS
88071-60-7- PubChem CID
- 950719
- DTXSID
DTXSID70359193
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 531
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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