3-[[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate

Systemtic Name: 3-[[(2R)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 3-[[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 3-[[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 3-[[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 3-[[(2R)-3-keto-2-methyl-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C17H14NO4- MolecularWeight: 296.29736

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H15NO4/c1-11-16(19)18(14-7-2-3-8-15(14)22-11)10-12-5-4-6-13(9-12)17(20)21/h2-9,11H,10H2,1H3,(H,20,21)/p-1/t11-/m1/s1