(2S)-2-[(2S)-6-chloranyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: (2S)-2-[(2S)-6-chloranyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2S)-6-chloro-2-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-chloro-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2S)-6-chloro-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-chloro-3-keto-2-(2-keto-2-oxido-ethyl)-1,4-benzoxazin-4-yl]butyrate Formula: C14H12ClNO6-2 MolecularWeight: 325.70118

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)[O-]

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C14H14ClNO6/c1-2-8(14(20)21)16-9-5-7(15)3-4-10(9)22-11(13(16)19)6-12(17)18/h3-5,8,11H,2,6H2,1H3,(H,17,18)(H,20,21)/p-2/t8-,11-/m0/s1