4-[2-[(4-bromanyl-2-chloranyl-phenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-bromanyl-2-chloranyl-phenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-bromo-2-chloro-benzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(4-bromo-2-chlorophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-bromo-2-chlorobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-bromo-2-chloro-benzoyl)amino]phenoxy]phthalic acid Formula: C21H13BrClNO6 MolecularWeight: 490.68802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=C(C=C(C=C2)Br)Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=C(C=C(C=C2)Br)Cl)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C21H13BrClNO6/c22-11-5-7-14(16(23)9-11)19(25)24-17-3-1-2-4-18(17)30-12-6-8-13(20(26)27)15(10-12)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)