4-[(2S)-2-methyl-3-oxidanylidene-4-[(2S)-1-oxidanyl-1-oxidanylidene-butan-2-yl]-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)C

Isomeric SMILES

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

InChI

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