N-(cyanomethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanediamide

Systemtic Name: N-(cyanomethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanediamide Openeye Name: N-(cyanomethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide CAS Name: N-(cyanomethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide IUPAC Name: N-(cyanomethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide Traditional Name: N-(cyanomethyl)-N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)oxamide Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)C(=O)NCC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)C(=O)NCC#N)OC1

InChI

InChI=1S/C13H13N3O4/c14-4-5-15-12(17)13(18)16-9-2-3-10-11(8-9)20-7-1-6-19-10/h2-3,8H,1,5-7H2,(H,15,17)(H,16,18)