9-azanyl-7-nitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one

Systemtic Name: 9-azanyl-7-nitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one Openeye Name: 9-amino-7-nitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one CAS Name: 9-amino-7-nitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one IUPAC Name: 9-amino-7-nitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one Traditional Name: 9-amino-7-nitro-2,3-dihydro-1H-4,1-benzoxazepin-5-one Formula: C9H9N3O4 MolecularWeight: 223.18546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C2=CC(=CC(=C2N1)N)[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)C2=CC(=CC(=C2N1)N)[N+](=O)[O-]

InChI

InChI=1S/C9H9N3O4/c10-7-4-5(12(14)15)3-6-8(7)11-1-2-16-9(6)13/h3-4,11H,1-2,10H2