2-(3-azanyl-1-pyridin-3-yl-propoxy)-2-oxidanylidene-ethanoic acid; 4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-(3-azanyl-1-pyridin-3-yl-propoxy)-2-oxidanylidene-ethanoic acid; 4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-[3-amino-1-(3-pyridyl)propoxy]-2-oxo-acetic acid; 4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-[3-amino-1-(3-pyridinyl)propoxy]-2-oxoacetic acid; 4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-(3-amino-1-pyridin-3-ylpropoxy)-2-oxoacetic acid; 4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 2-[3-amino-1-(3-pyridyl)propoxy]-2-keto-acetic acid; 4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C17H15ClFN3O5 MolecularWeight: 395.769503

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C=C(C1=O)C#N)F)Cl.C1=CC(=CN=C1)C(CCN)OC(=O)C(=O)O

Isomeric SMILES

C1C(=C(C=C(C1=O)C#N)F)Cl.C1=CC(=CN=C1)C(CCN)OC(=O)C(=O)O

InChI

InChI=1S/C10H12N2O4.C7H3ClFNO/c11-4-3-8(16-10(15)9(13)14)7-2-1-5-12-6-7;8-5-2-7(11)4(3-10)1-6(5)9/h1-2,5-6,8H,3-4,11H2,(H,13,14);1H,2H2