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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])C(C)C(=O)[O-]

Isomeric SMILES

CC[C@@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])[C@H](C)C(=O)[O-]

InChI

InChI=1S/C17H19NO7/c1-3-13-16(22)18(9(2)17(23)24)11-8-10(4-6-14(11)25-13)12(19)5-7-15(20)21/h4,6,8-9,13H,3,5,7H2,1-2H3,(H,20,21)(H,23,24)/p-2/t9-,13-/m1/s1