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

Systemtic Name: 3-[[(2S)-7-methyl-2-(2-oxidanidyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoate Openeye Name: 3-[[(2S)-7-methyl-2-(2-oxido-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate CAS Name: 3-[[(2S)-7-methyl-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate IUPAC Name: 3-[[(2S)-7-methyl-2-(2-oxido-2-oxoethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoate Traditional Name: 3-[[(2S)-3-keto-2-(2-keto-2-oxido-ethyl)-7-methyl-1,4-benzoxazin-4-yl]methyl]benzoate Formula: C19H15NO6-2 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)[O-])CC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)[O-])CC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C19H17NO6/c1-11-5-6-14-15(7-11)26-16(9-17(21)22)18(23)20(14)10-12-3-2-4-13(8-12)19(24)25/h2-8,16H,9-10H2,1H3,(H,21,22)(H,24,25)/p-2/t16-/m0/s1