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

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromanylphenoxy)-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2-bromophenoxy)-3-nitro-phenyl]acrylic acid Formula: C22H15BrN2O6 MolecularWeight: 483.2683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)OC3=CC=CC=C3Br)[N+](=O)[O-])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+](=O)[O-])/C(=O)O

InChI

InChI=1S/C22H15BrN2O6/c23-16-8-4-5-9-19(16)31-20-11-10-14(13-18(20)25(29)30)12-17(22(27)28)24-21(26)15-6-2-1-3-7-15/h1-13H,(H,24,26)(H,27,28)/b17-12+