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

Systemtic Name: 2-[(2S)-4-(carboxymethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-4-(carboxymethyl)-3-keto-7-methyl-1,4-benzoxazin-2-yl]acetic acid Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(O2)CC(=O)O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO6/c1-7-2-3-8-9(4-7)20-10(5-11(15)16)13(19)14(8)6-12(17)18/h2-4,10H,5-6H2,1H3,(H,15,16)(H,17,18)/t10-/m0/s1