prop-2-enyl (E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoate Openeye Name: allyl (E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-acrylic acid allyl ester Formula: C16H16BrNO4 MolecularWeight: 366.20654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)OCC=C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)OCC=C)OC

InChI

InChI=1S/C16H16BrNO4/c1-4-6-22-16(19)12(10-18)7-11-8-13(17)15(21-5-2)14(9-11)20-3/h4,7-9H,1,5-6H2,2-3H3/b12-7+