(4-cyanophenyl)methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: (4-cyanophenyl)methyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: (4-cyanophenyl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid (4-cyanobenzyl) ester Formula: C18H12ClNO4 MolecularWeight: 341.74518

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C=CC(=O)OCC3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)/C=C/C(=O)OCC3=CC=C(C=C3)C#N)Cl

InChI

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