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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11NO3/c18-10-13-3-1-2-12(8-13)4-6-15(19)14-5-7-16-17(9-14)21-11-20-16/h1-9H,11H2/b6-4+