2-[(2S)-4-[2-(dimethylazaniumyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate

Systemtic Name: 2-[(2S)-4-[2-(dimethylazaniumyl)ethyl]-3-oxidanylidene-1,4-benzoxazin-2-yl]ethanoate Openeye Name: 2-[(2S)-4-[2-(dimethylammonio)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate CAS Name: 2-[(2S)-4-[2-(dimethylammonio)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate IUPAC Name: 2-[(2S)-4-[2-(dimethylazaniumyl)ethyl]-3-oxo-1,4-benzoxazin-2-yl]acetate Traditional Name: 2-[(2S)-4-[2-(dimethylammonio)ethyl]-3-keto-1,4-benzoxazin-2-yl]acetate Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=CC=CC=C2OC(C1=O)CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C2=CC=CC=C2O[C@H](C1=O)CC(=O)[O-]

InChI

InChI=1S/C14H18N2O4/c1-15(2)7-8-16-10-5-3-4-6-11(10)20-12(14(16)19)9-13(17)18/h3-6,12H,7-9H2,1-2H3,(H,17,18)/t12-/m0/s1