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

Systemtic Name: 3-[[(2R)-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 3-[[(2R)-2-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 3-[[(2R)-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 3-[[(2R)-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 3-[[(2R)-3-keto-2-(2-keto-2-oxido-ethyl)-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C18H13NO6-2 MolecularWeight: 339.29892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)[O-])CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)[C@H](O2)CC(=O)[O-])CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H15NO6/c20-16(21)9-15-17(22)19(13-6-1-2-7-14(13)25-15)10-11-4-3-5-12(8-11)18(23)24/h1-8,15H,9-10H2,(H,20,21)(H,23,24)/p-2/t15-/m1/s1