methyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: methyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: methyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-acetyl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionic acid methyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

Isomeric SMILES

C[C@@H](C(=O)OC)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

InChI

InChI=1S/C16H19NO5/c1-9(14(19)21-5)17-12-8-11(10(2)18)6-7-13(12)22-16(3,4)15(17)20/h6-9H,1-5H3/t9-/m0/s1