(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C22H20ClNO4/c1-14(2)16-5-3-15(4-6-16)7-17(10-24)22(25)27-12-19-9-20(23)8-18-11-26-13-28-21(18)19/h3-9,14H,11-13H2,1-2H3/b17-7+