(E)-2-benzamido-3-[4-(2-bromanyl-6-nitro-phenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromanyl-6-nitro-phenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromo-6-nitro-phenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-(2-bromo-6-nitrophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromo-6-nitrophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2-bromo-6-nitro-phenoxy)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=C(C=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=C(C=CC=C3Br)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C22H15BrN2O6/c23-17-7-4-8-19(25(29)30)20(17)31-16-11-9-14(10-12-16)13-18(22(27)28)24-21(26)15-5-2-1-3-6-15/h1-13H,(H,24,26)(H,27,28)/b18-13+