(3E,6E)-3,6-bis(1,3-benzodioxol-5-ylmethylidene)piperazine-2,5-dione

Systemtic Name: (3E,6E)-3,6-bis(1,3-benzodioxol-5-ylmethylidene)piperazine-2,5-dione Openeye Name: (3E,6E)-3,6-bis(1,3-benzodioxol-5-ylmethylene)piperazine-2,5-dione CAS Name: (3E,6E)-3,6-bis(1,3-benzodioxol-5-ylmethylidene)piperazine-2,5-dione IUPAC Name: (3E,6E)-3,6-bis(1,3-benzodioxol-5-ylmethylidene)piperazine-2,5-dione Traditional Name: (3E,6E)-3,6-dipiperonylidenepiperazine-2,5-quinone Formula: C20H14N2O6 MolecularWeight: 378.33496

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=CC4=CC5=C(C=C4)OCO5)C(=O)N3

Isomeric SMILES

C1OC2=C(O1)C=CC(=C2)/C=C\3/NC(=O)/C(=C\C4=CC5=C(OCO5)C=C4)/NC3=O

InChI

InChI=1S/C20H14N2O6/c23-19-13(5-11-1-3-15-17(7-11)27-9-25-15)21-20(24)14(22-19)6-12-2-4-16-18(8-12)28-10-26-16/h1-8H,9-10H2,(H,21,24)(H,22,23)/b13-5+,14-6+