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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C2=C(C=CC(=C2)Cl)OC(C1=O)CC(=O)O

Isomeric SMILES

COCN1C2=C(C=CC(=C2)Cl)O[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C12H12ClNO5/c1-18-6-14-8-4-7(13)2-3-9(8)19-10(12(14)17)5-11(15)16/h2-4,10H,5-6H2,1H3,(H,15,16)/t10-/m0/s1