methyl 2-[(2S)-2-(2-acetyloxyethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-2-(2-acetyloxyethyl)-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]ethanoate Openeye Name: methyl 2-[(2S)-2-(2-acetoxyethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]acetate CAS Name: 2-[(2S)-2-(2-acetyloxyethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-2-(2-acetyloxyethyl)-3-oxo-4H-1,4-benzoxazin-6-yl]acetate Traditional Name: 2-[(2S)-2-(2-acetoxyethyl)-3-keto-4H-1,4-benzoxazin-6-yl]acetic acid methyl ester Formula: C15H17NO6 MolecularWeight: 307.29858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC1C(=O)NC2=C(O1)C=CC(=C2)CC(=O)OC

Isomeric SMILES

CC(=O)OCC[C@H]1C(=O)NC2=C(O1)C=CC(=C2)CC(=O)OC

InChI

InChI=1S/C15H17NO6/c1-9(17)21-6-5-13-15(19)16-11-7-10(8-14(18)20-2)3-4-12(11)22-13/h3-4,7,13H,5-6,8H2,1-2H3,(H,16,19)/t13-/m0/s1