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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=CC=CC=C2OC(C1=O)CC(=O)O

Isomeric SMILES

C[C@@H](C(=O)O)N1C2=CC=CC=C2O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C13H13NO6/c1-7(13(18)19)14-8-4-2-3-5-9(8)20-10(12(14)17)6-11(15)16/h2-5,7,10H,6H2,1H3,(H,15,16)(H,18,19)/t7-,10-/m0/s1