2-[4-[2,7-bis(oxidanylidene)azepan-1-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[2,7-bis(oxidanylidene)azepan-1-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-(2,7-dioxoazepan-1-yl)phenoxy]acetonitrile CAS Name: 2-[4-(2,7-dioxo-1-azepanyl)phenoxy]acetonitrile IUPAC Name: 2-[4-(2,7-dioxoazepan-1-yl)phenoxy]acetonitrile Traditional Name: 2-[4-(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=C(C=C2)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O3/c15-9-10-19-12-7-5-11(6-8-12)16-13(17)3-1-2-4-14(16)18/h5-8H,1-4,10H2