(2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoic acid

Systemtic Name: (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoic acid Openeye Name: (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoic acid CAS Name: (2S)-2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoic acid Traditional Name: (2S)-2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)butyric acid Formula: C15H17NO5 MolecularWeight: 291.29918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO5/c1-3-10(15(19)20)16-11-7-9(12(17)4-2)5-6-13(11)21-8-14(16)18/h5-7,10H,3-4,8H2,1-2H3,(H,19,20)/t10-/m0/s1