2-[(2S)-7-methyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-7-methyl-4-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-7-methyl-4-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-7-methyl-4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-7-methyl-4-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4-(2-keto-2-oxido-ethyl)-7-methyl-1,4-benzoxazin-2-yl]acetate Formula: C13H11NO6-2 MolecularWeight: 277.22954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C13H13NO6/c1-7-2-3-8-9(4-7)20-10(5-11(15)16)13(19)14(8)6-12(17)18/h2-4,10H,5-6H2,1H3,(H,15,16)(H,17,18)/p-2/t10-/m0/s1