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

Systemtic Name: 2-[(2S)-6-chloranyl-4-ethyl-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-4-ethyl-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-chloro-4-ethyl-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C12H12ClNO4 MolecularWeight: 269.68098

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C12H12ClNO4/c1-2-14-8-5-7(13)3-4-9(8)18-10(12(14)17)6-11(15)16/h3-5,10H,2,6H2,1H3,(H,15,16)/t10-/m0/s1