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

Systemtic Name: 4-[3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]butanoic acid Openeye Name: 4-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]butanoic acid CAS Name: 4-[3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,2,4-oxadiazol-5-yl]butanoic acid IUPAC Name: 4-[3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]butanoic acid Traditional Name: 4-[3-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,2,4-oxadiazol-5-yl]butyric acid Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c15-9-6-4-8(5-7-9)12-13-10(18-14-12)2-1-3-11(16)17/h4-7,14H,1-3H2,(H,16,17)