dimethyl (4aS,5S,6R)-5,6-diacetyloxy-2,4a,5,6-tetrahydrophthalazine-1,4-dicarboxylate

Systemtic Name: dimethyl (4aS,5S,6R)-5,6-diacetyloxy-2,4a,5,6-tetrahydrophthalazine-1,4-dicarboxylate Openeye Name: dimethyl (4aS,5S,6R)-5,6-diacetoxy-2,4a,5,6-tetrahydrophthalazine-1,4-dicarboxylate CAS Name: (4aS,5S,6R)-5,6-diacetyloxy-2,4a,5,6-tetrahydrophthalazine-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (4aS,5S,6R)-5,6-diacetyloxy-2,4a,5,6-tetrahydrophthalazine-1,4-dicarboxylate Traditional Name: (4aS,5S,6R)-5,6-diacetoxy-2,4a,5,6-tetrahydrophthalazine-1,4-dicarboxylic acid dimethyl ester Formula: C16H18N2O8 MolecularWeight: 366.32272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C=CC2=C(NN=C(C2C1OC(=O)C)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)O[C@@H]1C=CC2=C(NN=C([C@H]2[C@@H]1OC(=O)C)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N2O8/c1-7(19)25-10-6-5-9-11(14(10)26-8(2)20)13(16(22)24-4)18-17-12(9)15(21)23-3/h5-6,10-11,14,17H,1-4H3/t10-,11+,14-/m1/s1