dimethyl (3R,4R,5R)-2-azanyl-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylate

Systemtic Name: dimethyl (3R,4R,5R)-2-azanyl-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylate Openeye Name: dimethyl (3R,4R,5R)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylate CAS Name: (3R,4R,5R)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyanocyclopentene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (3R,4R,5R)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyanocyclopentene-1,3-dicarboxylate Traditional Name: (3R,4R,5R)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylic acid dimethyl ester Formula: C24H20N2O8 MolecularWeight: 464.4242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(C(C1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)(C#N)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C([C@]([C@H]([C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)(C#N)C(=O)OC)N

InChI

InChI=1S/C24H20N2O8/c1-29-22(27)19-18(12-3-5-14-16(7-12)33-10-31-14)20(24(9-25,21(19)26)23(28)30-2)13-4-6-15-17(8-13)34-11-32-15/h3-8,18,20H,10-11,26H2,1-2H3/t18-,20+,24-/m1/s1