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

Systemtic Name: 3-[(2S)-6-chloranyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2S)-6-chloro-2-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-6-chloro-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2S)-6-chloro-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-6-chloro-3-keto-2-(2-keto-2-oxido-ethyl)-1,4-benzoxazin-4-yl]propionate Formula: C13H10ClNO6-2 MolecularWeight: 311.6746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N(C(=O)C(O2)CC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N(C(=O)[C@@H](O2)CC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C13H12ClNO6/c14-7-1-2-9-8(5-7)15(4-3-11(16)17)13(20)10(21-9)6-12(18)19/h1-2,5,10H,3-4,6H2,(H,16,17)(H,18,19)/p-2/t10-/m0/s1