(2-bromanyl-4-methyl-phenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Openeye Name: (2-bromo-4-methyl-phenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2-propoxyphenyl)-2-propenoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) (E)-2-cyano-3-(2-propoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2-propoxyphenyl)acrylic acid (2-bromo-4-methyl-phenyl) ester Formula: C20H18BrNO3 MolecularWeight: 400.26582

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)OC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)OC2=C(C=C(C=C2)C)Br

InChI

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