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

Systemtic Name: 3-[(2R)-6-chloranyl-2-ethyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2R)-6-chloro-2-ethyl-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C13H14ClNO4 MolecularWeight: 283.70756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClNO4/c1-2-10-13(18)15(6-5-12(16)17)9-7-8(14)3-4-11(9)19-10/h3-4,7,10H,2,5-6H2,1H3,(H,16,17)/t10-/m1/s1