ethyl (2S)-2-[(2S)-6-methanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: ethyl (2S)-2-[(2S)-6-methanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: ethyl (2S)-2-[(2S)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2S)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2S)-6-formyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2S)-6-formyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyric acid ethyl ester Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-4-12(16(20)21-5-2)17-13-8-11(9-18)6-7-14(13)22-10(3)15(17)19/h6-10,12H,4-5H2,1-3H3/t10-,12-/m0/s1