(E)-3-[3-bromanyl-4-(3-cyanopropoxy)-5-ethoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-4-(3-cyanopropoxy)-5-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(3-cyanopropoxy)-5-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(3-cyanopropoxy)-5-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(3-cyanopropoxy)-5-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(3-cyanopropoxy)-5-ethoxy-phenyl]acrylic acid Formula: C15H16BrNO4 MolecularWeight: 354.19584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)O)Br)OCCCC#N

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)OCCCC#N

InChI

InChI=1S/C15H16BrNO4/c1-2-20-13-10-11(5-6-14(18)19)9-12(16)15(13)21-8-4-3-7-17/h5-6,9-10H,2-4,8H2,1H3,(H,18,19)/b6-5+