3-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]propanoate

Systemtic Name: 3-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]propanoate Openeye Name: 3-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]propanoate CAS Name: 3-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]propanoate IUPAC Name: 3-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]propanoate Traditional Name: 3-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]propionate Formula: C12H16NO4- MolecularWeight: 238.25974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNCCC(=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNCCC(=O)[O-])C(=O)C1)C

InChI

InChI=1S/C12H17NO4/c1-12(2)5-9(14)8(10(15)6-12)7-13-4-3-11(16)17/h7,13H,3-6H2,1-2H3,(H,16,17)/p-1