2-[[2-[2-(4-bromophenyl)ethynyl]phenyl]carbamoyl]benzoate

Systemtic Name: 2-[[2-[2-(4-bromophenyl)ethynyl]phenyl]carbamoyl]benzoate Openeye Name: 2-[[2-[2-(4-bromophenyl)ethynyl]phenyl]carbamoyl]benzoate CAS Name: 2-[[2-[2-(4-bromophenyl)ethynyl]anilino]-oxomethyl]benzoate IUPAC Name: 2-[[2-[2-(4-bromophenyl)ethynyl]phenyl]carbamoyl]benzoate Traditional Name: 2-[[2-[2-(4-bromophenyl)ethynyl]phenyl]carbamoyl]benzoate Formula: C22H13BrNO3- MolecularWeight: 419.24752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C22H14BrNO3/c23-17-13-10-15(11-14-17)9-12-16-5-1-4-8-20(16)24-21(25)18-6-2-3-7-19(18)22(26)27/h1-8,10-11,13-14H,(H,24,25)(H,26,27)/p-1