1-methoxypropan-2-yl (E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoate

Systemtic Name: 1-methoxypropan-2-yl (E)-3-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-cyano-prop-2-enoate Openeye Name: (2-methoxy-1-methyl-ethyl) (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyano-2-propenoic acid 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-2-yl (E)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(3-bromo-5-ethoxy-4-hydroxy-phenyl)-2-cyano-acrylic acid (2-methoxy-1-methyl-ethyl) ester Formula: C16H18BrNO5 MolecularWeight: 384.22182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)OC(C)COC)Br)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)OC(C)COC)Br)O

InChI

InChI=1S/C16H18BrNO5/c1-4-22-14-7-11(6-13(17)15(14)19)5-12(8-18)16(20)23-10(2)9-21-3/h5-7,10,19H,4,9H2,1-3H3/b12-5+