2-(3-azanyl-1-phenyl-propoxy)-2-oxidanylidene-ethanoic acid; 4-bromanyl-5-fluoranyl-2-oxidanyl-benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-1-phenyl-propoxy)-2-oxidanylidene-ethanoic acid; 4-bromanyl-5-fluoranyl-2-oxidanyl-benzenecarbonitrile Openeye Name: 2-(3-amino-1-phenyl-propoxy)-2-oxo-acetic acid; 4-bromo-5-fluoro-2-hydroxy-benzonitrile CAS Name: 2-(3-amino-1-phenylpropoxy)-2-oxoacetic acid; 4-bromo-5-fluoro-2-hydroxybenzonitrile IUPAC Name: 2-(3-amino-1-phenylpropoxy)-2-oxoacetic acid; 4-bromo-5-fluoro-2-hydroxybenzonitrile Traditional Name: 2-(3-amino-1-phenyl-propoxy)-2-keto-acetic acid; 4-bromo-5-fluoro-2-hydroxy-benzonitrile Formula: C18H16BrFN2O5 MolecularWeight: 439.232443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCN)OC(=O)C(=O)O.C1=C(C(=CC(=C1F)Br)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCN)OC(=O)C(=O)O.C1=C(C(=CC(=C1F)Br)O)C#N

InChI

InChI=1S/C11H13NO4.C7H3BrFNO/c12-7-6-9(16-11(15)10(13)14)8-4-2-1-3-5-8;8-5-2-7(11)4(3-10)1-6(5)9/h1-5,9H,6-7,12H2,(H,13,14);1-2,11H