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

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-3-keto-prop-1-enyl]benzonitrile Formula: C17H11NO3 MolecularWeight: 277.27414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11NO3/c18-10-13-3-1-12(2-4-13)5-7-15(19)14-6-8-16-17(9-14)21-11-20-16/h1-9H,11H2/b7-5+