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

Systemtic Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyanoprop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(1,3-benzodioxol-4-yl)-2-cyano-acryloyl]benzonitrile Formula: C18H10N2O3 MolecularWeight: 302.2836

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C=C(C#N)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1OC2=CC=CC(=C2O1)/C=C(\C#N)/C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H10N2O3/c19-9-12-4-6-13(7-5-12)17(21)15(10-20)8-14-2-1-3-16-18(14)23-11-22-16/h1-8H,11H2/b15-8+