3-chloranyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one

Systemtic Name: 3-chloranyl-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one Openeye Name: 3-chloro-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one CAS Name: 3-chloro-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one IUPAC Name: 3-chloro-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one Traditional Name: 3-chloro-7,9-dinitro-5H-benzo[b][1,4]benzoxazepin-6-one Formula: C13H6ClN3O6 MolecularWeight: 335.65624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC(=O)C3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)NC(=O)C3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H6ClN3O6/c14-6-1-2-10-8(3-6)15-13(18)12-9(17(21)22)4-7(16(19)20)5-11(12)23-10/h1-5H,(H,15,18)