6-Ethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
Basic information
- CAS
140413-19-0- Standard SMILES
CCN1C(=O)c2cccnc2Oc2cccc([N+](=O)[O-])c21- InChIKey
RUHFIKAUEKLXEQ-UHFFFAOYSA-N- Molecular formula
- C14H11N3O4
- Average molar mass
- 285.25 g/mol
- Monoisotopic mass
- 285.07495584
Names & identifiers
- Preferred name
- 6-Ethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
- IUPAC
- 6-ethyl-7-nitropyrido[2,3-b][1,5]benzoxazepin-5-one
Names & synonyms
6Et-7NO2-PBOA-5one6-Ethyl-7-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one140413-19-06-Ethyl-7-nitro-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-onePyridobenzoxazepinone 63BDBM1997CHEMBL293785DTXSID201613696-Ethyl-7-nitropyrido[2,3-b][1,5]benzoxazepin-5(6H)-one6-ethyl-7-nitro-pyrido[2,3-b][1,5]benzoxazepin-5-one10-ethyl-12-nitro-2-oxa-4,10-diazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
Database identifiers
- CAS
140413-19-0- PubChem CID
- 453971
- DTXSID
DTXSID20161369- ChEMBL
CHEMBL293785- Nikkaji
- J474.978B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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