4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]benzonitrile Formula: C17H11NO3 MolecularWeight: 277.27414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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