(4S,5S)-2-azanyl-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile

Systemtic Name: (4S,5S)-2-azanyl-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile Openeye Name: (4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile CAS Name: (4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile IUPAC Name: (4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile Traditional Name: (4S,5S)-2-amino-4,5-bis(1,3-benzodioxol-5-yl)cyclopent-2-ene-1,1,3-tricarbonitrile Formula: C22H14N4O4 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3C(C(C(=C3C#N)N)(C#N)C#N)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H]3[C@H](C(C(=C3C#N)N)(C#N)C#N)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H14N4O4/c23-7-14-19(12-1-3-15-17(5-12)29-10-27-15)20(22(8-24,9-25)21(14)26)13-2-4-16-18(6-13)30-11-28-16/h1-6,19-20H,10-11,26H2/t19-,20+/m0/s1