6,9-Dimethyl-3-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one

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Basic information

CAS: 134894-60-3
Standard SMILES: Cc1ccc2c(c1)Oc1ncc([N+](=O)[O-])cc1C(=O)N2C
InChIKey: VIOKXWDSFLJROB-UHFFFAOYSA-N
Molecular formula: C14H11N3O4
Average molar mass: 285.25 g/mol
Monoisotopic mass: 285.07495584

Names & identifiers

Preferred name: 6,9-Dimethyl-3-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one
IUPAC: 6,9-dimethyl-3-nitropyrido[2,3-b][1,5]benzoxazepin-5-one

Names & synonyms

6,9diMe-3NO2-PBOA-5one134894-60-36,9-Dimethyl-3-nitro-pyrido(2,3-b)(1,5)benzoxazepin-5(6H)-one6,9-Dimethyl-3-nitro-pyrido[2,3-b][1,5]benzoxazepin-5(6H)-oneCHEMBL292015SCHEMBL9101244DTXSID50159077VIOKXWDSFLJROB-UHFFFAOYSA-N6,9-Dimethyl-3-nitropyrido[2,3-b][1,5]benzoxazepin-5(6H)-one6,9-dimethyl-3-nitro-pyrido[2,3-b][1,5]benzoxazepin-5-one3-Nitro-6,9-dimethylpyrido[2,3-b][1,5]benzoxazepin-5(6H)-one

Database identifiers

CAS: 134894-60-3
PubChem CID: 453973
DTXSID: DTXSID50159077
ChEMBL: CHEMBL292015
Nikkaji: J474.980D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 88.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 438

Related reactions

2 records

New reaction record

HRID 1078555As productuspto-grants-1996_08

HRID 1078556As reactantuspto-grants-1996_08

Compound notes

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