dimethyl (1S,4S,6S)-5,5-dicyano-4,6-bis(furan-2-yl)-2-oxidanylidene-cyclohexane-1,3-dicarboxylate

Systemtic Name: dimethyl (1S,4S,6S)-5,5-dicyano-4,6-bis(furan-2-yl)-2-oxidanylidene-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl (1S,4S,6S)-5,5-dicyano-4,6-bis(2-furyl)-2-oxo-cyclohexane-1,3-dicarboxylate CAS Name: (1S,4S,6S)-5,5-dicyano-4,6-bis(2-furanyl)-2-oxocyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,4S,6S)-5,5-dicyano-4,6-bis(furan-2-yl)-2-oxocyclohexane-1,3-dicarboxylate Traditional Name: (1S,4S,6S)-5,5-dicyano-4,6-bis(2-furyl)-2-keto-cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(C(C1=O)C(=O)OC)C2=CC=CO2)(C#N)C#N)C3=CC=CO3

Isomeric SMILES

COC(=O)[C@H]1[C@@H](C([C@H](C(C1=O)C(=O)OC)C2=CC=CO2)(C#N)C#N)C3=CC=CO3

InChI

InChI=1S/C20H16N2O7/c1-26-18(24)13-15(11-5-3-7-28-11)20(9-21,10-22)16(12-6-4-8-29-12)14(17(13)23)19(25)27-2/h3-8,13-16H,1-2H3/t13-,14?,15-,16-/m0/s1