4-[2-[(3-cyanophenyl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(3-cyanophenyl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(3-cyanobenzoyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(3-cyanophenyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(3-cyanobenzoyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(3-cyanobenzoyl)amino]phenoxy]phthalic acid Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=CC(=C2)C#N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=CC(=C2)C#N)OC3=CC(=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H14N2O6/c23-12-13-4-3-5-14(10-13)20(25)24-18-6-1-2-7-19(18)30-15-8-9-16(21(26)27)17(11-15)22(28)29/h1-11H,(H,24,25)(H,26,27)(H,28,29)