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

Systemtic Name: 4-[(2S)-4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-[(2S)-4-ethyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]-4-keto-butyric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)OC(C1=O)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)CCC(=O)O)O[C@H](C1=O)C

InChI

InChI=1S/C15H17NO5/c1-3-16-11-8-10(12(17)5-7-14(18)19)4-6-13(11)21-9(2)15(16)20/h4,6,8-9H,3,5,7H2,1-2H3,(H,18,19)/t9-/m0/s1