4-[4-(2-bromanylethanoylamino)phenyl]benzoic acid

Systemtic Name: 4-[4-(2-bromanylethanoylamino)phenyl]benzoic acid Openeye Name: 4-[4-[(2-bromoacetyl)amino]phenyl]benzoic acid CAS Name: 4-[4-[(2-bromo-1-oxoethyl)amino]phenyl]benzoic acid IUPAC Name: 4-[4-[(2-bromoacetyl)amino]phenyl]benzoic acid Traditional Name: 4-[4-[(2-bromoacetyl)amino]phenyl]benzoic acid Formula: C15H12BrNO3 MolecularWeight: 334.16468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)CBr)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)CBr)C(=O)O

InChI

InChI=1S/C15H12BrNO3/c16-9-14(18)17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)