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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NC(=C2C=CC(=O)C=C2)NO1

Isomeric SMILES

COC(=O)CCC1=NC(=C2C=CC(=O)C=C2)NO1

InChI

InChI=1S/C12H12N2O4/c1-17-11(16)7-6-10-13-12(14-18-10)8-2-4-9(15)5-3-8/h2-5,14H,6-7H2,1H3