dimethyl 2,5-bis(1,3-benzodioxol-5-ylamino)cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis(1,3-benzodioxol-5-ylamino)cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(1,3-benzodioxol-5-ylamino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis(1,3-benzodioxol-5-ylamino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(1,3-benzodioxol-5-ylamino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis(1,3-benzodioxol-5-ylamino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester Formula: C24H22N2O8 MolecularWeight: 466.44008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC(=C(C1)NC2=CC3=C(C=C2)OCO3)C(=O)OC)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=C(CC(=C(C1)NC2=CC3=C(C=C2)OCO3)C(=O)OC)NC4=CC5=C(C=C4)OCO5

InChI

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