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

Systemtic Name: 3-[(2S)-7-methyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2S)-7-methyl-2-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-7-methyl-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2S)-7-methyl-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)-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-])CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-8-2-3-9-10(6-8)21-11(7-13(18)19)14(20)15(9)5-4-12(16)17/h2-3,6,11H,4-5,7H2,1H3,(H,16,17)(H,18,19)/p-2/t11-/m0/s1