3-[(2R)-2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-2,2-dimethyl-propanoate

Systemtic Name: 3-[(2R)-2-ethyl-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-2,2-dimethyl-propanoate Openeye Name: 3-[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethyl-propanoate CAS Name: 3-[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethylpropanoate IUPAC Name: 3-[(2R)-2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethylpropanoate Traditional Name: 3-[(2R)-2-ethyl-3-keto-6-methyl-1,4-benzoxazin-4-yl]-2,2-dimethyl-propionate Formula: C16H20NO4- MolecularWeight: 290.3343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(C)(C)C(=O)[O-]

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C)CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C16H21NO4/c1-5-12-14(18)17(9-16(3,4)15(19)20)11-8-10(2)6-7-13(11)21-12/h6-8,12H,5,9H2,1-4H3,(H,19,20)/p-1/t12-/m1/s1