4-[(2R)-2-ethyl-3-oxidanylidene-4-[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2R)-2-ethyl-3-oxidanylidene-4-[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-2-ethyl-4-[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-2-ethyl-4-[(2R)-1-hydroxy-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-2-ethyl-4-[(2R)-1-hydroxy-1-oxopropan-2-yl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-2-ethyl-4-[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C17H19NO7 MolecularWeight: 349.33526

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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)/t9-,13-/m1/s1