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

Systemtic Name: (2S)-2-[6-[2-(dimethylazaniumyl)ethanoyl]-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2S)-2-[6-[2-(dimethylammonio)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[6-[2-(dimethylammonio)-1-oxoethyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2S)-2-[6-[2-(dimethylazaniumyl)acetyl]-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[6-[2-(dimethylammonio)acetyl]-3-keto-1,4-benzoxazin-4-yl]propionate Formula: C15H18N2O5 MolecularWeight: 306.31382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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