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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)O

Isomeric SMILES

CC[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)O

InChI

InChI=1S/C12H12ClNO4/c1-2-9-12(17)14(6-11(15)16)8-5-7(13)3-4-10(8)18-9/h3-5,9H,2,6H2,1H3,(H,15,16)/t9-/m0/s1