2-(3-azanyl-1-phenyl-propoxy)-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid

Systemtic Name: 2-(3-azanyl-1-phenyl-propoxy)-4-chloranyl-5-fluoranyl-benzenecarbonitrile; ethanedioic acid Openeye Name: 2-(3-amino-1-phenyl-propoxy)-4-chloro-5-fluoro-benzonitrile; oxalic acid CAS Name: 2-(3-amino-1-phenylpropoxy)-4-chloro-5-fluorobenzonitrile; oxalic acid IUPAC Name: 2-(3-amino-1-phenylpropoxy)-4-chloro-5-fluorobenzonitrile; oxalic acid Traditional Name: 2-(3-amino-1-phenyl-propoxy)-4-chloro-5-fluoro-benzonitrile; oxalic acid Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClFN2O.C2H2O4/c17-13-9-16(12(10-20)8-14(13)18)21-15(6-7-19)11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,8-9,15H,6-7,19H2;(H,3,4)(H,5,6)