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

Systemtic Name: 2-[(2S)-4-(methoxymethyl)-6-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(methoxymethyl)-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(methoxymethyl)-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(methoxymethyl)-6-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-(methoxymethyl)-6-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2COC)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2COC)CC(=O)O

InChI

InChI=1S/C13H15NO5/c1-8-3-4-10-9(5-8)14(7-18-2)13(17)11(19-10)6-12(15)16/h3-5,11H,6-7H2,1-2H3,(H,15,16)/t11-/m0/s1