2-[3-[2,7-bis(oxidanylidene)azepan-1-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[3-[2,7-bis(oxidanylidene)azepan-1-yl]phenoxy]ethanenitrile Openeye Name: 2-[3-(2,7-dioxoazepan-1-yl)phenoxy]acetonitrile CAS Name: 2-[3-(2,7-dioxo-1-azepanyl)phenoxy]acetonitrile IUPAC Name: 2-[3-(2,7-dioxoazepan-1-yl)phenoxy]acetonitrile Traditional Name: 2-[3-(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=C2)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c15-8-9-19-12-5-3-4-11(10-12)16-13(17)6-1-2-7-14(16)18/h3-5,10H,1-2,6-7,9H2