3-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid

Systemtic Name: 3-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid Openeye Name: 3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid CAS Name: 3-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazol-5-yl]propanoic acid IUPAC Name: 3-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propanoic acid Traditional Name: 3-[3-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]propionic acid Formula: C11H10N2O4 MolecularWeight: 234.2081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2NOC(=N2)CCC(=O)O

Isomeric SMILES

C1=CC(=O)C=CC1=C2NOC(=N2)CCC(=O)O

InChI

InChI=1S/C11H10N2O4/c14-8-3-1-7(2-4-8)11-12-9(17-13-11)5-6-10(15)16/h1-4,13H,5-6H2,(H,15,16)