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

Systemtic Name: 2-[4-[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]phenoxy]ethanenitrile Openeye Name: 2-[4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]phenoxy]acetonitrile CAS Name: 2-[4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]phenoxy]acetonitrile Traditional Name: 2-[4-[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]phenoxy]acetonitrile Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClNO4/c19-15-9-12(10-17-18(15)24-11-23-17)1-6-16(21)13-2-4-14(5-3-13)22-8-7-20/h1-6,9-10H,8,11H2/b6-1+