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

Systemtic Name: diethyl (3S,4S,5S)-2-azanyl-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylate Openeye Name: diethyl (3S,4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylate CAS Name: (3S,4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyanocyclopentene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (3S,4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyanocyclopentene-1,3-dicarboxylate Traditional Name: (3S,4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-cyano-cyclopentene-1,3-dicarboxylic acid diethyl ester Formula: C26H24N2O8 MolecularWeight: 492.47736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C(C1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)(C#N)C(=O)OCC)N

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O8/c1-3-31-24(29)21-20(14-5-7-16-18(9-14)35-12-33-16)22(15-6-8-17-19(10-15)36-13-34-17)26(11-27,23(21)28)25(30)32-4-2/h5-10,20,22H,3-4,12-13,28H2,1-2H3/t20-,22+,26-/m0/s1