4-[2-[(4-bromophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-bromophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(4-bromophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-bromobenzoyl)amino]phenoxy]phthalic acid Formula: C21H14BrNO6 MolecularWeight: 456.24296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrNO6/c22-13-7-5-12(6-8-13)19(24)23-17-3-1-2-4-18(17)29-14-9-10-15(20(25)26)16(11-14)21(27)28/h1-11H,(H,23,24)(H,25,26)(H,27,28)