4-[4-[(4-bromophenyl)carbonylamino]phenoxy]phthalate

Systemtic Name: 4-[4-[(4-bromophenyl)carbonylamino]phenoxy]phthalate Openeye Name: 4-[4-[(4-bromobenzoyl)amino]phenoxy]phthalate CAS Name: 4-[4-[[(4-bromophenyl)-oxomethyl]amino]phenoxy]phthalate IUPAC Name: 4-[4-[(4-bromobenzoyl)amino]phenoxy]phthalate Traditional Name: 4-[4-[(4-bromobenzoyl)amino]phenoxy]phthalate Formula: C21H12BrNO6-2 MolecularWeight: 454.22708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)OC3=CC(=C(C=C3)C(=O)[O-])C(=O)[O-])Br

InChI

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