dimethyl 2-acetamido-2-[(5-butyl-3-oxidanylidene-1,2-oxazol-4-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-acetamido-2-[(5-butyl-3-oxidanylidene-1,2-oxazol-4-yl)methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[(5-butyl-3-oxo-isoxazol-4-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(5-butyl-3-oxo-4-isoxazolyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[(5-butyl-3-oxo-1,2-oxazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(5-butyl-3-keto-4-isoxazolin-4-yl)methyl]malonic acid dimethyl ester Formula: C15H22N2O7 MolecularWeight: 342.34438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)NO1)CC(C(=O)OC)(C(=O)OC)NC(=O)C

Isomeric SMILES

CCCCC1=C(C(=O)NO1)CC(C(=O)OC)(C(=O)OC)NC(=O)C

InChI

InChI=1S/C15H22N2O7/c1-5-6-7-11-10(12(19)17-24-11)8-15(13(20)22-3,14(21)23-4)16-9(2)18/h5-8H2,1-4H3,(H,16,18)(H,17,19)