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

Systemtic Name: methyl (2S)-2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)C(C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-9(2)15-16(20)18(10(3)17(21)22-5)13-8-12(11(4)19)6-7-14(13)23-15/h6-10,15H,1-5H3/t10-,15-/m0/s1