2-[3-azanyl-1-(1,2-oxazol-5-yl)propoxy]-2-oxidanylidene-ethanoic acid; 4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-[3-azanyl-1-(1,2-oxazol-5-yl)propoxy]-2-oxidanylidene-ethanoic acid; 4-chloranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-(3-amino-1-isoxazol-5-yl-propoxy)-2-oxo-acetic acid; 4-chloro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-[3-amino-1-(5-isoxazolyl)propoxy]-2-oxoacetic acid; 4-chloro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-[3-amino-1-(1,2-oxazol-5-yl)propoxy]-2-oxoacetic acid; 4-chloro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 2-(3-amino-1-isoxazol-5-yl-propoxy)-2-keto-acetic acid; 4-chloro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C15H14ClN3O6 MolecularWeight: 367.74116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H10N2O5.C7H4ClNO/c9-3-1-5(6-2-4-10-15-6)14-8(13)7(11)12;8-6-2-1-5(4-9)7(10)3-6/h2,4-5H,1,3,9H2,(H,11,12);1-2H,3H2