2-[(2S)-4-(methoxymethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4-(methoxymethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(methoxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(methoxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(methoxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-(methoxymethyl)-7-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)N(C(=O)C(O2)CC(=O)O)COC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)[C@@H](O2)CC(=O)O)COC

InChI

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