4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-(1,3-benzodioxol-5-yl)-2-keto-ethoxy]benzonitrile Formula: C16H11NO4 MolecularWeight: 281.26284

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11NO4/c17-8-11-1-4-13(5-2-11)19-9-14(18)12-3-6-15-16(7-12)21-10-20-15/h1-7H,9-10H2