(E)-3-[4-bromanyl-2-(3-cyanophenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-bromanyl-2-(3-cyanophenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-bromo-2-(3-cyanophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-bromo-2-(3-cyanophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-bromo-2-(3-cyanophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-bromo-2-(3-cyanophenoxy)phenyl]acrylic acid Formula: C16H10BrNO3 MolecularWeight: 344.1595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=C(C=CC(=C2)Br)C=CC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=C(C=CC(=C2)Br)/C=C/C(=O)O)C#N

InChI

InChI=1S/C16H10BrNO3/c17-13-6-4-12(5-7-16(19)20)15(9-13)21-14-3-1-2-11(8-14)10-18/h1-9H,(H,19,20)/b7-5+