(8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-thiomorpholin-4-yl-methanone

Systemtic Name: (8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-thiomorpholin-4-yl-methanone Openeye Name: (8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-thiomorpholino-methanone CAS Name: (8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-thiomorpholin-4-ylmethanone IUPAC Name: (8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-thiomorpholin-4-ylmethanone Traditional Name: (8-nitro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-thiomorpholino-methanone Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)N3CCSCC3)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)[N+](=O)[O-])C(=O)N3CCSCC3)OC1

InChI

InChI=1S/C14H16N2O5S/c17-14(15-2-6-22-7-3-15)11-8-10(16(18)19)9-12-13(11)21-5-1-4-20-12/h8-9H,1-7H2