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

Systemtic Name: 4-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]butyric acid Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C13H13NO5/c1-7-13(18)14-9-6-8(2-4-11(9)19-7)10(15)3-5-12(16)17/h2,4,6-7H,3,5H2,1H3,(H,14,18)(H,16,17)/t7-/m0/s1