4-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-bromanyl-2-(phenylcarbonyl)phenyl]carbamoyl]benzoic acid Openeye Name: 4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]benzoic acid CAS Name: 4-[(2-benzoyl-4-bromoanilino)-oxomethyl]benzoic acid IUPAC Name: 4-[(2-benzoyl-4-bromophenyl)carbamoyl]benzoic acid Traditional Name: 4-[(2-benzoyl-4-bromo-phenyl)carbamoyl]benzoic acid Formula: C21H14BrNO4 MolecularWeight: 424.24416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H14BrNO4/c22-16-10-11-18(17(12-16)19(24)13-4-2-1-3-5-13)23-20(25)14-6-8-15(9-7-14)21(26)27/h1-12H,(H,23,25)(H,26,27)