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

Systemtic Name: 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(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)CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-8-12(16)13(7-6-11(14)15)9-4-2-3-5-10(9)17-8/h2-5,8H,6-7H2,1H3,(H,14,15)/p-1/t8-/m0/s1