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

Systemtic Name: 4-[2,2-dimethyl-4-[(2S)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[2,2-dimethyl-4-[(1S)-1-methyl-2-oxido-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[2,2-dimethyl-4-[(2S)-1-oxido-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[2,2-dimethyl-4-[(2S)-1-oxido-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[3-keto-4-[(1S)-2-keto-1-methyl-2-oxido-ethyl]-2,2-dimethyl-1,4-benzoxazin-6-yl]butyrate Formula: C17H17NO7-2 MolecularWeight: 347.31938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO7/c1-9(15(22)23)18-11-8-10(12(19)5-7-14(20)21)4-6-13(11)25-17(2,3)16(18)24/h4,6,8-9H,5,7H2,1-3H3,(H,20,21)(H,22,23)/p-2/t9-/m0/s1