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

Systemtic Name: (2S)-2-[(2S)-2-(carboxymethyl)-7-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2S)-2-[(2S)-2-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2S)-2-[(2S)-2-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2S)-2-[(2S)-2-(carboxymethyl)-7-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2S)-2-[(2S)-2-(carboxymethyl)-3-keto-7-methyl-1,4-benzoxazin-4-yl]propionic acid Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO6/c1-7-3-4-9-10(5-7)21-11(6-12(16)17)13(18)15(9)8(2)14(19)20/h3-5,8,11H,6H2,1-2H3,(H,16,17)(H,19,20)/t8-,11-/m0/s1