dimethyl 3-[(1E,3Z)-4-cyanobuta-1,3-dienyl]-1,2-oxazole-4,5-dicarboxylate

Systemtic Name: dimethyl 3-[(1E,3Z)-4-cyanobuta-1,3-dienyl]-1,2-oxazole-4,5-dicarboxylate Openeye Name: dimethyl 3-[(1E,3Z)-4-cyanobuta-1,3-dienyl]isoxazole-4,5-dicarboxylate CAS Name: 3-[(1E,3Z)-4-cyanobuta-1,3-dienyl]isoxazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-[(1E,3Z)-4-cyanobuta-1,3-dienyl]-1,2-oxazole-4,5-dicarboxylate Traditional Name: 3-[(1E,3Z)-4-cyanobuta-1,3-dienyl]isoxazole-4,5-dicarboxylic acid dimethyl ester Formula: C12H10N2O5 MolecularWeight: 262.2182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON=C1C=CC=CC#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(ON=C1/C=C/C=C\C#N)C(=O)OC

InChI

InChI=1S/C12H10N2O5/c1-17-11(15)9-8(6-4-3-5-7-13)14-19-10(9)12(16)18-2/h3-6H,1-2H3/b5-3-,6-4+