2-azanyl-2-[[2,6-bis(3-cyanophenoxy)pyridin-3-yl]amino]propanedioic acid

Systemtic Name: 2-azanyl-2-[[2,6-bis(3-cyanophenoxy)pyridin-3-yl]amino]propanedioic acid Openeye Name: 2-amino-2-[[2,6-bis(3-cyanophenoxy)-3-pyridyl]amino]propanedioic acid CAS Name: 2-amino-2-[[2,6-bis(3-cyanophenoxy)-3-pyridinyl]amino]propanedioic acid IUPAC Name: 2-amino-2-[[2,6-bis(3-cyanophenoxy)pyridin-3-yl]amino]propanedioic acid Traditional Name: 2-amino-2-[[2,6-bis(3-cyanophenoxy)-3-pyridyl]amino]malonic acid Formula: C22H15N5O6 MolecularWeight: 445.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=C(C=C2)NC(C(=O)O)(C(=O)O)N)OC3=CC=CC(=C3)C#N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=C(C=C2)NC(C(=O)O)(C(=O)O)N)OC3=CC=CC(=C3)C#N)C#N

InChI

InChI=1S/C22H15N5O6/c23-11-13-3-1-5-15(9-13)32-18-8-7-17(27-22(25,20(28)29)21(30)31)19(26-18)33-16-6-2-4-14(10-16)12-24/h1-10,27H,25H2,(H,28,29)(H,30,31)