(2R)-2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: (2R)-2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2R)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2R)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)C(C)C(=O)[O-]

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)[C@H](C)C(=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-7(12(15)16)13-9-5-3-4-6-10(9)17-8(2)11(13)14/h3-8H,1-2H3,(H,15,16)/p-1/t7-,8+/m1/s1