(2S)-2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: (2S)-2-(6-chloranyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: (2S)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoate IUPAC Name: (2S)-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-chloro-3-keto-1,4-benzoxazin-4-yl)propionate Formula: C11H9ClNO4- MolecularWeight: 254.64646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)Cl

Isomeric SMILES

C[C@@H](C(=O)[O-])N1C(=O)COC2=C1C=C(C=C2)Cl

InChI

InChI=1S/C11H10ClNO4/c1-6(11(15)16)13-8-4-7(12)2-3-9(8)17-5-10(13)14/h2-4,6H,5H2,1H3,(H,15,16)/p-1/t6-/m0/s1