2-[3-azanyl-1-(6-oxidanylidene-1H-pyridin-2-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[3-azanyl-1-(6-oxidanylidene-1H-pyridin-2-yl)propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-[3-amino-1-(6-oxo-1H-pyridin-2-yl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid CAS Name: 2-[3-amino-1-(6-oxo-1H-pyridin-2-yl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid IUPAC Name: 2-[3-amino-1-(6-oxo-1H-pyridin-2-yl)propoxy]-4-chloro-5-fluorobenzonitrile; oxalic acid Traditional Name: 2-[3-amino-1-(6-keto-1H-pyridin-2-yl)propoxy]-4-chloro-5-fluoro-benzonitrile; oxalic acid Formula: C17H15ClFN3O6 MolecularWeight: 411.768903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)NC(=C1)C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=O)NC(=C1)C(CCN)OC2=CC(=C(C=C2C#N)F)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H13ClFN3O2.C2H2O4/c16-10-7-14(9(8-19)6-11(10)17)22-13(4-5-18)12-2-1-3-15(21)20-12;3-1(4)2(5)6/h1-3,6-7,13H,4-5,18H2,(H,20,21);(H,3,4)(H,5,6)