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

Systemtic Name: 2-[(2S)-6-chloranyl-4-(2-hydroxyethyl)-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-4-(2-hydroxyethyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-chloro-4-(2-hydroxyethyl)-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C12H12ClNO5 MolecularWeight: 285.68038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N(C(=O)C(O2)CC(=O)O)CCO

Isomeric SMILES

C1=CC2=C(C=C1Cl)N(C(=O)[C@@H](O2)CC(=O)O)CCO

InChI

InChI=1S/C12H12ClNO5/c13-7-1-2-9-8(5-7)14(3-4-15)12(18)10(19-9)6-11(16)17/h1-2,5,10,15H,3-4,6H2,(H,16,17)/t10-/m0/s1