[(1R)-1-cyanoethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: [(1R)-1-cyanoethyl] (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: [(1R)-1-cyanoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)acrylic acid [(1R)-1-cyanoethyl] ester Formula: C13H12BrNO4 MolecularWeight: 326.14268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C=CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[C@H](C#N)OC(=O)/C=C/C1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C13H12BrNO4/c1-8(7-15)19-12(16)4-3-9-5-10(14)13(17)11(6-9)18-2/h3-6,8,17H,1-2H3/b4-3+/t8-/m1/s1