methyl (E)-3-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[5-[(2-bromanylphenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-[(2-bromophenoxy)methyl]-2,4-dimethyl-phenyl]-2-cyano-acrylic acid methyl ester Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)OC)COC2=CC=CC=C2Br)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)OC)COC2=CC=CC=C2Br)C

InChI

InChI=1S/C20H18BrNO3/c1-13-8-14(2)17(12-25-19-7-5-4-6-18(19)21)10-15(13)9-16(11-22)20(23)24-3/h4-10H,12H2,1-3H3/b16-9+