1-(2,5-dimethylphenyl)-6-oxidanylidene-1,2-diazinane-3-carboxylic acid

Systemtic Name: 1-(2,5-dimethylphenyl)-6-oxidanylidene-1,2-diazinane-3-carboxylic acid Openeye Name: 1-(2,5-dimethylphenyl)-6-oxo-hexahydropyridazine-3-carboxylic acid CAS Name: 1-(2,5-dimethylphenyl)-6-oxo-3-diazinanecarboxylic acid IUPAC Name: 1-(2,5-dimethylphenyl)-6-oxodiazinane-3-carboxylic acid Traditional Name: 1-(2,5-dimethylphenyl)-6-keto-hexahydropyridazine-3-carboxylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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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)CCC(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)