8-nitro-6H-benzo[b][1,4]benzodioxepine

Systemtic Name: 8-nitro-6H-benzo[b][1,4]benzodioxepine Openeye Name: 8-nitro-6H-benzo[b][1,4]benzodioxepine CAS Name: 8-nitro-6H-benzo[b][1,4]benzodioxepin IUPAC Name: 8-nitro-6H-benzo[b][1,4]benzodioxepine Traditional Name: 8-nitro-6H-benzo[b][1,4]benzodioxepin Formula: C13H9NO4 MolecularWeight: 243.21486

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3O1

Isomeric SMILES

C1C2=C(C=CC(=C2)[N+](=O)[O-])OC3=CC=CC=C3O1

InChI

InChI=1S/C13H9NO4/c15-14(16)10-5-6-11-9(7-10)8-17-12-3-1-2-4-13(12)18-11/h1-7H,8H2