4-[(2R)-2-methyl-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-methyl-3-oxidanylidene-4-[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2R)-4-[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2R)-4-[(2R)-1-hydroxy-1-oxopropan-2-yl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2R)-4-[(2R)-1-hydroxy-1-oxopropan-2-yl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2R)-4-[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C16H17NO7 MolecularWeight: 335.30868

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)C(C)C(=O)O

Isomeric SMILES

C[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/C16H17NO7/c1-8(16(22)23)17-11-7-10(12(18)4-6-14(19)20)3-5-13(11)24-9(2)15(17)21/h3,5,7-9H,4,6H2,1-2H3,(H,19,20)(H,22,23)/t8-,9-/m1/s1