2,5-bis(1,3-benzodioxol-5-ylamino)benzene-1,4-dicarbonitrile

Systemtic Name: 2,5-bis(1,3-benzodioxol-5-ylamino)benzene-1,4-dicarbonitrile Openeye Name: 2,5-bis(1,3-benzodioxol-5-ylamino)terephthalonitrile CAS Name: 2,5-bis(1,3-benzodioxol-5-ylamino)benzene-1,4-dicarbonitrile IUPAC Name: 2,5-bis(1,3-benzodioxol-5-ylamino)benzene-1,4-dicarbonitrile Traditional Name: 2,5-bis(1,3-benzodioxol-5-ylamino)terephthalonitrile Formula: C22H14N4O4 MolecularWeight: 398.37096

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC3=CC(=C(C=C3C#N)NC4=CC5=C(C=C4)OCO5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC3=CC(=C(C=C3C#N)NC4=CC5=C(C=C4)OCO5)C#N

InChI

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