methyl (1S,5S)-2,2-dimethyl-5-(methyliminomethyl)-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,5S)-2,2-dimethyl-5-(methyliminomethyl)-4,6-bis(oxidanylidene)cyclohexane-1-carboxylate Openeye Name: methyl (1S,5S)-2,2-dimethyl-5-(methyliminomethyl)-4,6-dioxo-cyclohexanecarboxylate CAS Name: (1S,5S)-2,2-dimethyl-5-(methyliminomethyl)-4,6-dioxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,5S)-2,2-dimethyl-5-(methyliminomethyl)-4,6-dioxocyclohexane-1-carboxylate Traditional Name: (1S,5S)-4,6-diketo-2,2-dimethyl-5-(methyliminomethyl)cyclohexanecarboxylic acid methyl ester Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1C(=O)OC)C=NC)C

Isomeric SMILES

CC1(CC(=O)[C@@H](C(=O)[C@H]1C(=O)OC)C=NC)C

InChI

InChI=1S/C12H17NO4/c1-12(2)5-8(14)7(6-13-3)10(15)9(12)11(16)17-4/h6-7,9H,5H2,1-4H3/t7-,9-/m0/s1