cyanomethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: cyanomethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: cyanomethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid cyanomethyl ester Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC#N)OC1

InChI

InChI=1S/C15H15NO5/c16-6-9-21-15(18)5-3-12(17)11-2-4-13-14(10-11)20-8-1-7-19-13/h2,4,10H,1,3,5,7-9H2