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

Systemtic Name: 3-[(2R)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-2,2-dimethyl-propanoate Openeye Name: 3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethyl-propanoate CAS Name: 3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethylpropanoate IUPAC Name: 3-[(2R)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethylpropanoate Traditional Name: 3-[(2R)-2-ethyl-3-keto-1,4-benzoxazin-4-yl]-2,2-dimethyl-propionate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=CC=CC=C2O1)CC(C)(C)C(=O)[O-]

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C15H19NO4/c1-4-11-13(17)16(9-15(2,3)14(18)19)10-7-5-6-8-12(10)20-11/h5-8,11H,4,9H2,1-3H3,(H,18,19)/p-1/t11-/m1/s1