N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenoxy-ethanamide

Systemtic Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenoxy-ethanamide Openeye Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenoxy-acetamide CAS Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenoxyacetamide IUPAC Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenoxyacetamide Traditional Name: N-(7-nitro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-phenoxy-acetamide Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)COC3=CC=CC=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)COC3=CC=CC=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C17H16N2O6/c20-17(11-25-12-5-2-1-3-6-12)18-13-9-15-16(10-14(13)19(21)22)24-8-4-7-23-15/h1-3,5-6,9-10H,4,7-8,11H2,(H,18,20)