2,5-bis(1,3-benzodioxol-5-ylmethylamino)-3,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione

Systemtic Name: 2,5-bis(1,3-benzodioxol-5-ylmethylamino)-3,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione Openeye Name: 2,5-bis(1,3-benzodioxol-5-ylmethylamino)-3,6-dimethoxy-1,4-benzoquinone CAS Name: 2,5-bis(1,3-benzodioxol-5-ylmethylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione IUPAC Name: 2,5-bis(1,3-benzodioxol-5-ylmethylamino)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione Traditional Name: 2,5-dimethoxy-3,6-bis(piperonylamino)-p-benzoquinone Formula: C24H22N2O8 MolecularWeight: 466.44008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C(C1=O)NCC2=CC3=C(C=C2)OCO3)OC)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C(=O)C(=C(C1=O)NCC2=CC3=C(C=C2)OCO3)OC)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N2O8/c1-29-23-19(25-9-13-3-5-15-17(7-13)33-11-31-15)22(28)24(30-2)20(21(23)27)26-10-14-4-6-16-18(8-14)34-12-32-16/h3-8,25-26H,9-12H2,1-2H3