2-[(2S)-4,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid

Systemtic Name: 2-[(2S)-4,6-dimethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4,6-dimethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4,6-dimethyl-1,4-benzoxazin-2-yl]acetic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(C(=O)N2C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O[C@H](C(=O)N2C)CC(=O)O

InChI

InChI=1S/C12H13NO4/c1-7-3-4-9-8(5-7)13(2)12(16)10(17-9)6-11(14)15/h3-5,10H,6H2,1-2H3,(H,14,15)/t10-/m0/s1