2-[3-azanyl-1-(1,2-oxazol-5-yl)propoxy]-4-chloranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-[3-azanyl-1-(1,2-oxazol-5-yl)propoxy]-4-chloranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-(3-amino-1-isoxazol-5-yl-propoxy)-4-chloro-benzonitrile; oxalic acid CAS Name: 2-[3-amino-1-(5-isoxazolyl)propoxy]-4-chlorobenzonitrile; oxalic acid IUPAC Name: 2-[3-amino-1-(1,2-oxazol-5-yl)propoxy]-4-chlorobenzonitrile; oxalic acid Traditional Name: 2-(3-amino-1-isoxazol-5-yl-propoxy)-4-chloro-benzonitrile; oxalic acid Formula: C15H14ClN3O6 MolecularWeight: 367.74116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)OC(CCN)C2=CC=NO2)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)OC(CCN)C2=CC=NO2)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H12ClN3O2.C2H2O4/c14-10-2-1-9(8-16)13(7-10)18-11(3-5-15)12-4-6-17-19-12;3-1(4)2(5)6/h1-2,4,6-7,11H,3,5,15H2;(H,3,4)(H,5,6)