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

Systemtic Name: (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Openeye Name: (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)butyrate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)C(=O)CC)OC(C1=O)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-11(15(20)21)18-12-9-10(13(19)6-2)7-8-14(12)23-17(3,4)16(18)22/h7-9,11H,5-6H2,1-4H3,(H,20,21)/p-1/t11-/m0/s1