2-ethyl-7,9-dinitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one

Systemtic Name: 2-ethyl-7,9-dinitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one Openeye Name: 2-ethyl-7,9-dinitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one CAS Name: 2-ethyl-7,9-dinitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one IUPAC Name: 2-ethyl-7,9-dinitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one Traditional Name: 2-ethyl-7,9-dinitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one Formula: C11H11N3O6 MolecularWeight: 281.22154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(=O)C2=CC(=CC(=C2N1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1COC(=O)C2=CC(=CC(=C2N1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O6/c1-2-6-5-20-11(15)8-3-7(13(16)17)4-9(14(18)19)10(8)12-6/h3-4,6,12H,2,5H2,1H3