(E)-2-benzamido-3-[4-(2-bromanyl-4-cyano-phenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromanyl-4-cyano-phenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromo-4-cyano-phenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-(2-bromo-4-cyanophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromo-4-cyanophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2-bromo-4-cyano-phenoxy)phenyl]acrylic acid Formula: C23H15BrN2O4 MolecularWeight: 463.2802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C#N)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=C(C=C3)C#N)Br)/C(=O)O

InChI

InChI=1S/C23H15BrN2O4/c24-19-12-16(14-25)8-11-21(19)30-18-9-6-15(7-10-18)13-20(23(28)29)26-22(27)17-4-2-1-3-5-17/h1-13H,(H,26,27)(H,28,29)/b20-13+