2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]phenoxy]acetonitrile Formula: C18H13NO4 MolecularWeight: 307.30012

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H13NO4/c19-9-10-21-15-5-1-13(2-6-15)3-7-16(20)14-4-8-17-18(11-14)23-12-22-17/h1-8,11H,10,12H2/b7-3+