4-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]benzonitrile CAS Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]benzonitrile Traditional Name: 4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]benzonitrile Formula: C17H10ClNO3 MolecularWeight: 311.7192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10ClNO3/c18-14-7-12(8-16-17(14)22-10-21-16)3-6-15(20)13-4-1-11(9-19)2-5-13/h1-8H,10H2/b6-3+