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

Systemtic Name: 4-[4-[(2S)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(1S)-1-methyl-2-oxido-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[4-[(2S)-1-oxido-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[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]-1,4-benzoxazin-6-yl]butyrate Formula: C15H13NO7-2 MolecularWeight: 319.26622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H15NO7/c1-8(15(21)22)16-10-6-9(11(17)3-5-14(19)20)2-4-12(10)23-7-13(16)18/h2,4,6,8H,3,5,7H2,1H3,(H,19,20)(H,21,22)/p-2/t8-/m0/s1