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

Systemtic Name: 3-[[(2R)-2,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 3-[[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 3-[[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 3-[[(2R)-2,6-dimethyl-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 3-[[(2R)-3-keto-2,6-dimethyl-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C18H16NO4- MolecularWeight: 310.32394

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C)CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C)CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H17NO4/c1-11-6-7-16-15(8-11)19(17(20)12(2)23-16)10-13-4-3-5-14(9-13)18(21)22/h3-9,12H,10H2,1-2H3,(H,21,22)/p-1/t12-/m1/s1