(E)-3-[3-azanyl-4-(2-bromanylphenoxy)phenyl]-2-benzamido-prop-2-enoic acid

Systemtic Name: (E)-3-[3-azanyl-4-(2-bromanylphenoxy)phenyl]-2-benzamido-prop-2-enoic acid Openeye Name: (E)-3-[3-amino-4-(2-bromophenoxy)phenyl]-2-benzamido-prop-2-enoic acid CAS Name: (E)-3-[3-amino-4-(2-bromophenoxy)phenyl]-2-benzamido-2-propenoic acid IUPAC Name: (E)-3-[3-amino-4-(2-bromophenoxy)phenyl]-2-benzamidoprop-2-enoic acid Traditional Name: (E)-3-[3-amino-4-(2-bromophenoxy)phenyl]-2-benzamido-acrylic acid Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)OC3=CC=CC=C3Br)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=C(C=C2)OC3=CC=CC=C3Br)N)/C(=O)O

InChI

InChI=1S/C22H17BrN2O4/c23-16-8-4-5-9-19(16)29-20-11-10-14(12-17(20)24)13-18(22(27)28)25-21(26)15-6-2-1-3-7-15/h1-13H,24H2,(H,25,26)(H,27,28)/b18-13+