2-[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]ethanoate

Systemtic Name: 2-[(2R)-2-ethyl-3-oxidanylidene-4-propan-2-yl-1,4-benzoxazin-6-yl]ethanoate Openeye Name: 2-[(2R)-2-ethyl-4-isopropyl-3-oxo-1,4-benzoxazin-6-yl]acetate CAS Name: 2-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]acetate IUPAC Name: 2-[(2R)-2-ethyl-3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl]acetate Traditional Name: 2-[(2R)-2-ethyl-4-isopropyl-3-keto-1,4-benzoxazin-6-yl]acetate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO4/c1-4-12-15(19)16(9(2)3)11-7-10(8-14(17)18)5-6-13(11)20-12/h5-7,9,12H,4,8H2,1-3H3,(H,17,18)/p-1/t12-/m1/s1