(E)-2-benzamido-3-[5-(2-bromanylphenoxy)-2-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[5-(2-bromanylphenoxy)-2-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[5-(2-bromophenoxy)-2-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[5-(2-bromophenoxy)-2-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[5-(2-bromophenoxy)-2-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[5-(2-bromophenoxy)-2-nitro-phenyl]acrylic acid Formula: C22H15BrN2O6 MolecularWeight: 483.2683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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