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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c15-11(16)5-6-14-8-3-1-2-4-9(8)20-10(13(14)19)7-12(17)18/h1-4,10H,5-7H2,(H,15,16)(H,17,18)/p-2/t10-/m0/s1