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

Systemtic Name: (E)-3-[5-bromanyl-2-(3-cyanopropoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-(3-cyanopropoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-(3-cyanopropoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-(3-cyanopropoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-(3-cyanopropoxy)phenyl]acrylic acid Formula: C13H12BrNO3 MolecularWeight: 310.14328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C=CC(=O)O)OCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1Br)/C=C/C(=O)O)OCCCC#N

InChI

InChI=1S/C13H12BrNO3/c14-11-4-5-12(18-8-2-1-7-15)10(9-11)3-6-13(16)17/h3-6,9H,1-2,8H2,(H,16,17)/b6-3+