(E)-2-benzamido-3-[4-(3-bromanylpyridin-2-yl)oxyphenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-(3-bromanylpyridin-2-yl)oxyphenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-[(3-bromo-2-pyridyl)oxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(3-bromopyridin-2-yl)oxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-[(3-bromo-2-pyridyl)oxy]phenyl]acrylic acid Formula: C21H15BrN2O4 MolecularWeight: 439.2588

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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=CC=N3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=C(C=CC=N3)Br)/C(=O)O

InChI

InChI=1S/C21H15BrN2O4/c22-17-7-4-12-23-20(17)28-16-10-8-14(9-11-16)13-18(21(26)27)24-19(25)15-5-2-1-3-6-15/h1-13H,(H,24,25)(H,26,27)/b18-13+