methyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

Isomeric SMILES

CC[C@@H](C(=O)OC)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

InChI

InChI=1S/C16H19NO5/c1-4-11(16(20)21-3)17-12-8-10(13(18)5-2)6-7-14(12)22-9-15(17)19/h6-8,11H,4-5,9H2,1-3H3/t11-/m0/s1