(3R)-1-(2,5-dimethylphenyl)-6-oxidanylidene-1,2-diazinane-3-carboxylate

Systemtic Name: (3R)-1-(2,5-dimethylphenyl)-6-oxidanylidene-1,2-diazinane-3-carboxylate Openeye Name: (3R)-1-(2,5-dimethylphenyl)-6-oxo-hexahydropyridazine-3-carboxylate CAS Name: (3R)-1-(2,5-dimethylphenyl)-6-oxo-3-diazinanecarboxylate IUPAC Name: (3R)-1-(2,5-dimethylphenyl)-6-oxodiazinane-3-carboxylate Traditional Name: (3R)-1-(2,5-dimethylphenyl)-6-keto-hexahydropyridazine-3-carboxylate Formula: C13H15N2O3- MolecularWeight: 247.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)CCC(N2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)CC[C@@H](N2)C(=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-8-3-4-9(2)11(7-8)15-12(16)6-5-10(14-15)13(17)18/h3-4,7,10,14H,5-6H2,1-2H3,(H,17,18)/p-1/t10-/m1/s1