ethyl (4S,4aR)-4-ethanoyl-1-methyl-6-oxidanylidene-4,4a,5,7-tetrahydropyridazino[3,4-c]pyridazine-3-carboxylate

Systemtic Name: ethyl (4S,4aR)-4-ethanoyl-1-methyl-6-oxidanylidene-4,4a,5,7-tetrahydropyridazino[3,4-c]pyridazine-3-carboxylate Openeye Name: ethyl (4S,4aR)-4-acetyl-1-methyl-6-oxo-4,4a,5,7-tetrahydropyridazino[3,4-c]pyridazine-3-carboxylate CAS Name: (4S,4aR)-4-acetyl-1-methyl-6-oxo-4,4a,5,7-tetrahydropyridazino[3,4-c]pyridazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,4aR)-4-acetyl-1-methyl-6-oxo-4,4a,5,7-tetrahydropyridazino[3,4-c]pyridazine-3-carboxylate Traditional Name: (4S,4aR)-4-acetyl-6-keto-1-methyl-4,4a,5,7-tetrahydropyridazino[3,4-c]pyridazine-3-carboxylic acid ethyl ester Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2=NNC(=O)CC2C1C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C2=NNC(=O)C[C@@H]2[C@@H]1C(=O)C)C

InChI

InChI=1S/C12H16N4O4/c1-4-20-12(19)10-9(6(2)17)7-5-8(18)13-14-11(7)16(3)15-10/h7,9H,4-5H2,1-3H3,(H,13,18)/t7-,9+/m1/s1