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

Systemtic Name: 2-[(2S)-6-chloranyl-3-oxidanylidene-4-(3-oxidanylpropyl)-1,4-benzoxazin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-6-chloro-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid CAS Name: 2-[(2S)-6-chloro-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid IUPAC Name: 2-[(2S)-6-chloro-4-(3-hydroxypropyl)-3-oxo-1,4-benzoxazin-2-yl]acetic acid Traditional Name: 2-[(2S)-6-chloro-4-(3-hydroxypropyl)-3-keto-1,4-benzoxazin-2-yl]acetic acid Formula: C13H14ClNO5 MolecularWeight: 299.70696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO5/c14-8-2-3-10-9(6-8)15(4-1-5-16)13(19)11(20-10)7-12(17)18/h2-3,6,11,16H,1,4-5,7H2,(H,17,18)/t11-/m0/s1