[2-(1-adamantyl)-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 6-oxidanylidene-4,5-dihydro-1H-pyridazine-3-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate CAS Name: 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate Traditional Name: 6-keto-4,5-dihydro-1H-pyridazine-3-carboxylic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C1CC(=O)NN=C1C(=O)OCC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C17H22N2O4/c20-14(9-23-16(22)13-1-2-15(21)19-18-13)17-6-10-3-11(7-17)5-12(4-10)8-17/h10-12H,1-9H2,(H,19,21)