4-[2-[(4-cyanopyridin-2-yl)carbonylamino]phenoxy]phthalic acid

Systemtic Name: 4-[2-[(4-cyanopyridin-2-yl)carbonylamino]phenoxy]phthalic acid Openeye Name: 4-[2-[(4-cyanopyridine-2-carbonyl)amino]phenoxy]phthalic acid CAS Name: 4-[2-[[(4-cyano-2-pyridinyl)-oxomethyl]amino]phenoxy]phthalic acid IUPAC Name: 4-[2-[(4-cyanopyridine-2-carbonyl)amino]phenoxy]phthalic acid Traditional Name: 4-[2-[(4-cyanopicolinoyl)amino]phenoxy]phthalic acid Formula: C21H13N3O6 MolecularWeight: 403.34442

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H13N3O6/c22-11-12-7-8-23-17(9-12)19(25)24-16-3-1-2-4-18(16)30-13-5-6-14(20(26)27)15(10-13)21(28)29/h1-10H,(H,24,25)(H,26,27)(H,28,29)