2-[6-[(2S)-2-(dimethylazaniumyl)propanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 2-[6-[(2S)-2-(dimethylazaniumyl)propanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: 2-[6-[(2S)-2-(dimethylammonio)propanoyl]-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[6-[(2S)-2-(dimethylammonio)-1-oxopropyl]-3-oxo-1,4-benzoxazin-4-yl]acetate IUPAC Name: 2-[6-[(2S)-2-(dimethylazaniumyl)propanoyl]-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[6-[(2S)-2-(dimethylammonio)propanoyl]-3-keto-1,4-benzoxazin-4-yl]acetate Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)[O-])[NH+](C)C

Isomeric SMILES

C[C@@H](C(=O)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)[O-])[NH+](C)C

InChI

InChI=1S/C15H18N2O5/c1-9(16(2)3)15(21)10-4-5-12-11(6-10)17(7-14(19)20)13(18)8-22-12/h4-6,9H,7-8H2,1-3H3,(H,19,20)/t9-/m0/s1