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

Systemtic Name: (2S)-2-[(2S)-7-methyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2S)-2-[(2S)-7-methyl-2-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-7-methyl-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2S)-2-[(2S)-7-methyl-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-3-keto-2-(2-keto-2-oxido-ethyl)-7-methyl-1,4-benzoxazin-4-yl]propionate Formula: C14H13NO6-2 MolecularWeight: 291.25612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-7-3-4-9-10(5-7)21-11(6-12(16)17)13(18)15(9)8(2)14(19)20/h3-5,8,11H,6H2,1-2H3,(H,16,17)(H,19,20)/p-2/t8-,11-/m0/s1