2-[2-[2,7-bis(oxidanylidene)azepan-1-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[2-[2,7-bis(oxidanylidene)azepan-1-yl]phenoxy]ethanenitrile Openeye Name: 2-[2-(2,7-dioxoazepan-1-yl)phenoxy]acetonitrile CAS Name: 2-[2-(2,7-dioxo-1-azepanyl)phenoxy]acetonitrile IUPAC Name: 2-[2-(2,7-dioxoazepan-1-yl)phenoxy]acetonitrile Traditional Name: 2-[2-(2,7-diketoazepan-1-yl)phenoxy]acetonitrile Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C2=CC=CC=C2OCC#N

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C2=CC=CC=C2OCC#N

InChI

InChI=1S/C14H14N2O3/c15-9-10-19-12-6-2-1-5-11(12)16-13(17)7-3-4-8-14(16)18/h1-2,5-6H,3-4,7-8,10H2