4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzenecarbonitrile

Systemtic Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzenecarbonitrile Openeye Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzonitrile CAS Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-1-oxopropyl]benzonitrile IUPAC Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyanopropanoyl]benzonitrile Traditional Name: 4-[3-(1,3-benzodioxol-5-yl)-3-cyano-propanoyl]benzonitrile Formula: C18H12N2O3 MolecularWeight: 304.29948

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O3/c19-9-12-1-3-13(4-2-12)16(21)7-15(10-20)14-5-6-17-18(8-14)23-11-22-17/h1-6,8,15H,7,11H2