cyanomethyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: cyanomethyl (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: cyanomethyl (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 cyanomethyl ester IUPAC Name: cyanomethyl (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 cyanomethyl ester Formula: C12H8ClNO4 MolecularWeight: 265.64922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClNO4/c13-9-5-8(1-2-11(15)16-4-3-14)6-10-12(9)18-7-17-10/h1-2,5-6H,4,7H2/b2-1+