(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: 3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: 3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=CC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)OCC#N

InChI

InChI=1S/C21H18ClNO6/c1-25-19-8-14(2-4-18(19)27-7-6-23)3-5-20(24)28-12-16-10-17(22)9-15-11-26-13-29-21(15)16/h2-5,8-10H,7,11-13H2,1H3