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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

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